PCD15_MOUSE Loading...

Isoform 20 of Protocadherin-15 AlphaSync

Canonical isoform description: Calcium-dependent cell-adhesion protein. Required for inner ear neuroepithelial cell elaboration and cochlear function. Probably involved in the maintenance of normal retinal function.

AlphaFold DB , UniProt , Accession Q99PJ1-20 (canonical: Q99PJ1), Species MOUSE (Mus musculus, Mouse), Gene Pcdh15, Length 415 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   AlphaSync Parameters   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M93.8Very high96.5Very high87 Ų8729 Ų2943%0.42917%0.167SC..  0141.80-68.3172.3178.300109.1E40 T62 V63 Y64 P110M1-E40 HydrophobicContact CE-CB 4.23Å; M1-E40 VanDerWaalsContact CE-CD 3.45Å; M1-E40 HydrophobicContact CE-CG 3.65Å; M1-E40 HydrophobicContact SD-CG 4.17Å; M1-T62 HydrophobicContact CB-CG2 4.18Å; M1-T62 HydrophobicContact CG-CG2 4.44Å; M1-T62 HydrophobicContact SD-CG2 4.3Å; M1-V63 CarbonylContact C-O 3.59Å; M1-V63 WeakPolarHBondContact CA-O 3.5Å; M1-Y64 HydrophobicContact CE-CD1 4.03Å; M1-Y64 HydrophobicContact CE-CE1 4.19Å; M1-Y64 HydrophobicContact CG-CD1 4.02Å; M1-Y64 HydrophobicContact CG-CG 4.37Å; M1-P110 HydrophobicContact CB-CG 4.21Å; M1-P110 WeakPolarHBondContact O-CD 3.37Å
2Q95.9Very high96.5Very high1 Ų131 Ų311%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-130.5151.2171.4-74.4-63.1-12.900108.5T62 V63 R76 L79 F80 I107 R108Q2-T62 WeakPolarHBondContact O-CA 3.49Å; Q2-V63 PolarHBondContact N-O 3.01Å; Q2-V63 PolarHBondContact O-N 3.1Å; Q2-R76 WeakPolarHBondContact CG-O 3.43Å; Q2-R76 PolarHBondContact NE2-O 3.39Å; Q2-L79 HydrophobicContact CB-CD2 4.25Å; Q2-L79 HydrophobicContact CG-CB 4.43Å; Q2-L79 HydrophobicContact CG-CD2 4.17Å; Q2-L79 HydrophobicContact CG-CG 4.29Å; Q2-F80 HydrophobicContact CG-CB 4.24Å; Q2-I107 HydrophobicContact CB-CG2 4.01Å; Q2-I107 HydrophobicContact CG-CG2 4.44Å; Q2-R108 VanDerWaalsContact OE1-C 3.22Å; Q2-R108 PolarHBondContact OE1-O 3.36Å
3V96.5Very high96.5Very high4 Ų428.6 Ų28.62%0.02416%0.162CC..EExtended strand (participates in β ladder)trans-108.4115.7178.1-177.20000108.4V5 D60 L61 T62 I107 R108 P110V3-V5 HydrophobicContact CG1-CG2 4.37Å; V3-D60 HydrophobicContact CG1-CB 3.65Å; V3-L61 CarbonylContact C-O 3.44Å; V3-L61 WeakPolarHBondContact CA-O 3.36Å; V3-T62 HydrophobicContact CG2-CG2 4.43Å; V3-I107 CarbonylContact O-C 3.54Å; V3-I107 WeakPolarHBondContact O-CA 3.17Å; V3-R108 WeakPolarHBondContact CA-O 3.48Å; V3-R108 HydrophobicContact CB-CG 3.82Å; V3-R108 WeakPolarHBondContact CB-O 3.32Å; V3-R108 HydrophobicContact CG1-CG 4.25Å; V3-R108 PolarHBondContact N-O 2.8Å; V3-R108 PolarHBondContact O-N 3.39Å; V3-P110 HydrophobicContact CG2-CB 3.86Å
4I96.8Very high96.5Very high1 Ų135.6 Ų35.61%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-87.9116174.2-58.7175.4000107.3L24 L61 V63 L83 I104I4-L24 HydrophobicContact CD1-CD1 3.87Å; I4-L24 HydrophobicContact CD1-CD2 4.14Å; I4-L61 HydrophobicContact CB-CB 4.24Å; I4-L61 HydrophobicContact CD1-CD2 4.4Å; I4-L61 PolarHBondContact N-O 3.19Å; I4-L61 PolarHBondContact O-N 3.4Å; I4-V63 HydrophobicContact CD1-CG2 3.76Å; I4-V63 HydrophobicContact CG1-CG2 4.09Å; I4-L83 HydrophobicContact CD1-CD1 4.13Å; I4-L83 HydrophobicContact CG1-CD1 4.5Å; I4-I104 HydrophobicContact CG2-CB 4.35Å; I4-I104 HydrophobicContact CG2-CD1 3.87Å; I4-I104 HydrophobicContact CG2-CG1 3.9Å; I4-I104 HydrophobicContact CG2-CG2 3.54Å
5V97.1Very high96.5Very high0 Ų045.4 Ų45.40%023%0.233CC..EExtended strand (participates in β ladder)trans-97.4117.9-178.6-173.80000109.1V3 R45 C59 D60 I104 L105 E106 R108V3-V5 HydrophobicContact CG1-CG2 4.37Å; V5-R45 HydrophobicContact CG1-CG 3.9Å; V5-C59 CarbonylContact C-O 3.31Å; V5-C59 WeakPolarHBondContact CA-O 3.33Å; V5-D60 WeakPolarHBondContact CG2-OD1 3.33Å; V5-I104 CarbonylContact O-C 3.58Å; V5-L105 HydrophobicContact CG1-CD1 4.39Å; V5-L105 PolarHBondContact O-N 3.28Å; V5-E106 HydrophobicContact CB-CG 3.79Å; V5-E106 WeakPolarHBondContact CB-O 3.41Å; V5-E106 HydrophobicContact CG1-CG 4.4Å; V5-E106 HydrophobicContact CG2-CG 3.77Å; V5-E106 PolarHBondContact N-O 3.37Å; V5-R108 HydrophobicContact CG2-CG 3.94Å
6S97.2Very high96.5Very high0 Ų046.6 Ų46.60%024%0.236CC..EExtended strand (participates in β ladder)trans-116.9148.5-178.4-61.40000111.7V8 K58 C59 Y98S6-V8 PolarHBondContact O-N 3.32Å; S6-V8 VanDerWaalsContact O-N 3.14Å; S6-K58 WeakPolarHBondContact O-CA 3.39Å; S6-K58 VanDerWaalsContact O-CB 3.31Å; S6-K58 WeakPolarHBondContact O-CB 3.33Å; S6-C59 PolarHBondContact N-O 3Å; S6-C59 PolarHBondContact O-N 3.49Å; S6-Y98 WeakPolarHBondContact OG-CE2 3.47Å; S6-Y98 PolarHBondContact OG-OH 3.01Å
7N96.9Very high96.4Very high50 Ų5045.8 Ų45.827%0.26723%0.232SC..SBendtrans-83.326.517972.6-18000114.4G101 G102 R103 L105N7-G101 PolarHBondContact ND2-O 2.79Å; N7-G102 VanDerWaalsContact OD1-CA 3.29Å; N7-G102 WeakPolarHBondContact OD1-CA 3.48Å; N7-R103 PolarHBondContact N-O 2.82Å; N7-R103 VanDerWaalsContact N-O 3.09Å; N7-R103 PolarHBondContact OD1-N 3.23Å; N7-R103 PolarHBondContact OD1-O 3.14Å; N7-L105 HydrophobicContact CB-CD1 4.06Å; N7-L105 HydrophobicContact CB-CD2 4.1Å; N7-L105 HydrophobicContact CB-CG 4.08Å
8V96.7Very high96.5Very high8 Ų852.4 Ų52.45%0.04826%0.262CS..SBendtrans-121.9151.7179.6-68.50000110.2S6 L12 V13 S57 K58 C59 Y98S6-V8 PolarHBondContact O-N 3.32Å; S6-V8 VanDerWaalsContact O-N 3.14Å; V8-L12 HydrophobicContact CB-CD2 4.38Å; V8-L12 HydrophobicContact CG2-CD2 4.34Å; V8-V13 HydrophobicContact CG2-CG2 3.58Å; V8-S57 CarbonylContact C-O 3.51Å; V8-S57 VanDerWaalsContact C-O 3.31Å; V8-K58 CarbonylContact O-C 3.48Å; V8-K58 VanDerWaalsContact O-CA 3.31Å; V8-K58 WeakPolarHBondContact O-CA 3.13Å; V8-C59 WeakPolarHBondContact O-CB 3.32Å; V8-C59 PolarHBondContact O-N 2.89Å; V8-Y98 HydrophobicContact CG1-CD2 4.17Å; V8-Y98 HydrophobicContact CG1-CG 3.99Å; V8-Y98 HydrophobicContact CG2-CD1 3.96Å; V8-Y98 HydrophobicContact CG2-CD2 4.03Å; V8-Y98 HydrophobicContact CG2-CE1 3.87Å; V8-Y98 HydrophobicContact CG2-CE2 3.94Å; V8-Y98 HydrophobicContact CG2-CG 4.04Å
9P97Very high96.5Very high52 Ų5253.1 Ų53.134%0.33827%0.266SS..  trans-61.9148.5178.1-24.134.5000112.9T11 L12 V13P9-T11 PolarHBondContact O-N 3.23Å; P9-L12 WeakPolarHBondContact O-CB 3.35Å; P9-L12 PolarHBondContact O-N 3.27Å; P9-V13 PolarHBondContact O-N 3.46Å
10P97.1Very high96.4Very high15 Ų1550.4 Ų50.410%0.09725%0.253CS..Hα-helixtrans-61.7-30.3-177.623.9-33.5000113.3L12 V13 E14 I42 Y56 C59P10-L12 VanDerWaalsContact C-N 3.26Å; P10-L12 PolarHBondContact O-N 2.88Å; P10-V13 PolarHBondContact O-N 3.14Å; P10-E14 WeakPolarHBondContact O-CB 3.33Å; P10-E14 PolarHBondContact O-N 3.32Å; P10-I42 HydrophobicContact CB-CG2 4.12Å; P10-Y56 WeakPolarHBondContact CD-O 3.11Å; P10-C59 HydrophobicContact CB-CB 4.32Å
11T96.7Very high96.4Very high101 Ų10148.9 Ų48.962%0.6225%0.246SC*.Hα-helixtrans-62.6-31.6176.6550000113P9 K15P9-T11 PolarHBondContact O-N 3.23Å; T11-K15 WeakPolarHBondContact O-CB 3.32Å; T11-K15 PolarHBondContact O-N 2.87Å
12L95.7Very high96.6Very high53 Ų5350.9 Ų50.928%0.27726%0.255SS..Hα-helixtrans-74.4-41.1176.8-174.9151.5000110.6V8 P9 P10 K15 K16 Y98V8-L12 HydrophobicContact CB-CD2 4.38Å; V8-L12 HydrophobicContact CG2-CD2 4.34Å; P9-L12 WeakPolarHBondContact O-CB 3.35Å; P9-L12 PolarHBondContact O-N 3.27Å; P10-L12 VanDerWaalsContact C-N 3.26Å; P10-L12 PolarHBondContact O-N 2.88Å; L12-K15 PolarHBondContact O-N 2.94Å; L12-K16 PolarHBondContact O-N 3.25Å; L12-Y98 HydrophobicContact CD2-CD1 3.95Å
13V96.9Very high96.6Very high0 Ų051.3 Ų51.30%026%0.257CS..Hα-helixtrans-64.7-46177.8179.70000110.7V8 P9 P10 K15 K16 I17 L20 I42 C59 L61 Y98V8-V13 HydrophobicContact CG2-CG2 3.58Å; P9-V13 PolarHBondContact O-N 3.46Å; P10-V13 PolarHBondContact O-N 3.14Å; V13-K15 VanDerWaalsContact C-N 3.33Å; V13-K15 PolarHBondContact O-N 3.03Å; V13-K16 CarbonylContact O-C 3.34Å; V13-K16 PolarHBondContact O-N 3.45Å; V13-I17 HydrophobicContact CG1-CD1 4.34Å; V13-I17 WeakPolarHBondContact O-CA 3.34Å; V13-I17 PolarHBondContact O-N 3.49Å; V13-L20 HydrophobicContact CG1-CD1 4.08Å; V13-I42 HydrophobicContact CB-CG2 4.27Å; V13-I42 HydrophobicContact CG1-CG2 4.18Å; V13-C59 HydrophobicContact CG2-CB 3.82Å; V13-L61 HydrophobicContact CG1-CD1 4.47Å; V13-L61 HydrophobicContact CG1-CD2 4.27Å; V13-Y98 HydrophobicContact CG2-CE1 4.14Å
14E96.6Very high96.6Very high126 Ų12651.1 Ų51.159%0.58926%0.256SS*.Hα-helixtrans-60-41.9177.9-173.8176.6-16500112.1P10 K16 I17 I42P10-E14 WeakPolarHBondContact O-CB 3.33Å; P10-E14 PolarHBondContact O-N 3.32Å; E14-K16 VanDerWaalsContact C-N 3.27Å; E14-K16 PolarHBondContact O-N 3.47Å; E14-I17 VanDerWaalsContact O-CG2 3.29Å; E14-I17 WeakPolarHBondContact O-CG2 2.86Å; E14-I17 PolarHBondContact O-N 2.9Å; E14-I42 HydrophobicContact CB-CD1 4.05Å; E14-I42 HydrophobicContact CG-CD1 4.3Å
15K96.8Very high96.5Very high183 Ų18351.5 Ų51.580%0.79626%0.258SS*.Hα-helixtrans-64.7-29.6178.9-174.9174.1179.4178.80113.6T11 L12 V13T11-K15 WeakPolarHBondContact O-CB 3.32Å; T11-K15 PolarHBondContact O-N 2.87Å; L12-K15 PolarHBondContact O-N 2.94Å; V13-K15 VanDerWaalsContact C-N 3.33Å; V13-K15 PolarHBondContact O-N 3.03Å
16K95.5Very high96.5Very high64 Ų6456.9 Ų56.928%0.27828%0.278SS..THydrogen-bonded Turntrans-111.318.5-176.1-66.7-179.9168.1-168.90112.2L12 V13 E14 E18 D19 L20 P96 Y97L12-K16 PolarHBondContact O-N 3.25Å; V13-K16 CarbonylContact O-C 3.34Å; V13-K16 PolarHBondContact O-N 3.45Å; E14-K16 VanDerWaalsContact C-N 3.27Å; E14-K16 PolarHBondContact O-N 3.47Å; K16-E18 VanDerWaalsContact C-N 3.32Å; K16-E18 PolarHBondContact O-N 2.85Å; K16-D19 PolarHBondContact O-N 2.88Å; K16-L20 HydrophobicContact CB-CD1 4.27Å; K16-L20 HydrophobicContact CB-CG 4.42Å; K16-L20 WeakPolarHBondContact O-CG 3.46Å; K16-L20 PolarHBondContact O-N 2.8Å; K16-L20 VanDerWaalsContact O-N 3.1Å; K16-P96 PolarHBondContact NZ-O 3.04Å; K16-Y97 HydrophobicContact CB-CD1 4.3Å; K16-Y97 HydrophobicContact CD-CD1 3.95Å; K16-Y97 HydrophobicContact CD-CG 4.39Å; K16-Y97 VanDerWaalsContact CD-O 3.28Å; K16-Y97 WeakPolarHBondContact CD-O 3.43Å; K16-Y97 WeakPolarHBondContact CE-O 3.38Å; K16-Y97 HydrophobicContact CG-CD1 4.42Å; K16-Y97 PolarHBondContact NZ-O 3.05Å
17I96.4Very high96.4Very high34 Ų3457.8 Ų57.817%0.17428%0.282CS..Hα-helixtrans-65.4-34.5-168.5-167.660000113.3V13 E14 L20 T21 V39 I42 L61V13-I17 HydrophobicContact CG1-CD1 4.34Å; V13-I17 WeakPolarHBondContact O-CA 3.34Å; V13-I17 PolarHBondContact O-N 3.49Å; E14-I17 VanDerWaalsContact O-CG2 3.29Å; E14-I17 WeakPolarHBondContact O-CG2 2.86Å; E14-I17 PolarHBondContact O-N 2.9Å; I17-L20 PolarHBondContact O-N 2.89Å; I17-T21 VanDerWaalsContact O-CB 3.25Å; I17-T21 WeakPolarHBondContact O-CB 3.35Å; I17-T21 PolarHBondContact O-N 3.45Å; I17-T21 PolarHBondContact O-OG1 2.88Å; I17-V39 HydrophobicContact CD1-CG1 4.24Å; I17-V39 HydrophobicContact CD1-CG2 3.76Å; I17-V39 HydrophobicContact CG1-CG1 4.42Å; I17-V39 HydrophobicContact CG1-CG2 3.91Å; I17-I42 HydrophobicContact CB-CD1 4.26Å; I17-I42 HydrophobicContact CD1-CD1 3.76Å; I17-I42 HydrophobicContact CG1-CD1 3.86Å; I17-L61 HydrophobicContact CD1-CD1 3.84Å; I17-L61 HydrophobicContact CD1-CD2 4.37Å
18E96.5Very high96.3Very high164 Ų16455.4 Ų55.477%0.76627%0.269SS*.Hα-helixtrans-61.6-50.5-179.6-63.2-179.9178.600110.7K16 T21 E22K16-E18 VanDerWaalsContact C-N 3.32Å; K16-E18 PolarHBondContact O-N 2.85Å; E18-T21 PolarHBondContact O-N 3.31Å; E18-E22 PolarHBondContact O-N 3.37Å
19D96.7Very high96.3Very high65 Ų6558.9 Ų58.935%0.34828%0.284SS..Hα-helixtrans-65.5-43.1178.6-57.8-45.6000112.1K16 T21 E22 I23 Y97K16-D19 PolarHBondContact O-N 2.88Å; D19-T21 VanDerWaalsContact C-N 3.3Å; D19-T21 PolarHBondContact O-N 3.5Å; D19-E22 PolarHBondContact O-N 3.34Å; D19-I23 WeakPolarHBondContact O-CG1 3.2Å; D19-I23 PolarHBondContact O-N 3Å; D19-Y97 HydrophobicContact CB-CD1 3.9Å; D19-Y97 HydrophobicContact CB-CE1 3.27Å; D19-Y97 WeakPolarHBondContact OD2-CE1 3.46Å
20L96.2Very high96.1Very high0 Ų061.9 Ų61.90%029%0.294CS..Hα-helixtrans-63.6-38.9178.3-65.9172.2000111.2V13 K16 I17 I23 L24 F94 Y97 Y98V13-L20 HydrophobicContact CG1-CD1 4.08Å; K16-L20 HydrophobicContact CB-CD1 4.27Å; K16-L20 HydrophobicContact CB-CG 4.42Å; K16-L20 WeakPolarHBondContact O-CG 3.46Å; K16-L20 PolarHBondContact O-N 2.8Å; K16-L20 VanDerWaalsContact O-N 3.1Å; I17-L20 PolarHBondContact O-N 2.89Å; L20-I23 PolarHBondContact O-N 3.33Å; L20-L24 WeakPolarHBondContact O-CG 3.43Å; L20-L24 PolarHBondContact O-N 3.04Å; L20-F94 HydrophobicContact CB-CE1 4.46Å; L20-F94 HydrophobicContact CB-CZ 4.19Å; L20-F94 HydrophobicContact CD2-CD1 3.75Å; L20-F94 HydrophobicContact CD2-CD2 3.85Å; L20-F94 HydrophobicContact CD2-CE1 3.77Å; L20-F94 HydrophobicContact CD2-CE2 3.87Å; L20-F94 HydrophobicContact CD2-CG 3.78Å; L20-F94 HydrophobicContact CD2-CZ 3.83Å; L20-Y97 HydrophobicContact CD2-CD2 4.33Å; L20-Y97 HydrophobicContact CD2-CG 4.08Å; L20-Y98 HydrophobicContact CD1-CE1 3.73Å; L20-Y98 HydrophobicContact CD2-CD1 4.43Å; L20-Y98 HydrophobicContact CD2-CE1 3.95Å
21T96.4Very high96Very high18 Ų1865.5 Ų65.511%0.1131%0.31CS..Hα-helixtrans-68.3-38.3177.2-54.50000110.9I17 E18 D19 I23 L24 D25 V37 V39I17-T21 VanDerWaalsContact O-CB 3.25Å; I17-T21 WeakPolarHBondContact O-CB 3.35Å; I17-T21 PolarHBondContact O-N 3.45Å; I17-T21 PolarHBondContact O-OG1 2.88Å; E18-T21 PolarHBondContact O-N 3.31Å; D19-T21 VanDerWaalsContact C-N 3.3Å; D19-T21 PolarHBondContact O-N 3.5Å; T21-I23 VanDerWaalsContact C-N 3.32Å; T21-I23 PolarHBondContact O-N 3.31Å; T21-L24 PolarHBondContact O-N 3.38Å; T21-D25 WeakPolarHBondContact O-CB 3.33Å; T21-D25 VanDerWaalsContact O-CG 3.26Å; T21-D25 PolarHBondContact O-N 2.89Å; T21-V37 HydrophobicContact CG2-CB 4.29Å; T21-V37 HydrophobicContact CG2-CG1 4.46Å; T21-V39 WeakPolarHBondContact OG1-CG2 3.42Å
22E96.5Very high95.8Very high129 Ų12962.2 Ų62.260%0.60329%0.288SS*.Hα-helixtrans-62.4-38.6174.9-173.7178.5179.800112.3E18 D19 D25 R26E18-E22 PolarHBondContact O-N 3.37Å; D19-E22 PolarHBondContact O-N 3.34Å; E22-D25 WeakPolarHBondContact O-CB 3.39Å; E22-D25 PolarHBondContact O-N 2.92Å; E22-R26 PolarHBondContact O-N 3.39Å; E22-R26 VanDerWaalsContact O-N 3.12Å
23I95.9Very high95.7Very high10 Ų1064 Ų645%0.05130%0.303CS..Hα-helixtrans-65-48.1174.1-66162.5000110.3D19 L20 T21 D25 R26 Y27 D93 F94 Y97D19-I23 WeakPolarHBondContact O-CG1 3.2Å; D19-I23 PolarHBondContact O-N 3Å; L20-I23 PolarHBondContact O-N 3.33Å; T21-I23 VanDerWaalsContact C-N 3.32Å; T21-I23 PolarHBondContact O-N 3.31Å; I23-D25 VanDerWaalsContact C-N 3.29Å; I23-D25 PolarHBondContact O-N 3.45Å; I23-R26 WeakPolarHBondContact O-CB 3.46Å; I23-R26 PolarHBondContact O-N 3.18Å; I23-Y27 HydrophobicContact CG2-CD2 3.88Å; I23-Y27 HydrophobicContact CG2-CE2 3.62Å; I23-Y27 WeakPolarHBondContact O-CD2 3.38Å; I23-Y27 PolarHBondContact O-N 3.44Å; I23-D93 HydrophobicContact CD1-CB 4.22Å; I23-D93 HydrophobicContact CG2-CB 3.71Å; I23-F94 HydrophobicContact CB-CD1 4.45Å; I23-F94 HydrophobicContact CB-CE1 3.92Å; I23-F94 HydrophobicContact CD1-CD1 4.04Å; I23-F94 HydrophobicContact CD1-CE1 4.2Å; I23-F94 HydrophobicContact CG2-CD1 3.99Å; I23-F94 HydrophobicContact CG2-CE1 3.66Å; I23-Y97 HydrophobicContact CD1-CD2 3.95Å; I23-Y97 HydrophobicContact CD1-CE2 3.5Å; I23-Y97 VanDerWaalsContact CD1-CE2 3.5Å
24L96Very high95.5Very high1 Ų166.1 Ų66.11%0.00533%0.325CS..Hα-helixtrans-60.9-39.9177.6-68173.6000111.7I4 L20 T21 R26 Y27 V28 V37 L83 I90 F94I4-L24 HydrophobicContact CD1-CD1 3.87Å; I4-L24 HydrophobicContact CD1-CD2 4.14Å; L20-L24 WeakPolarHBondContact O-CG 3.43Å; L20-L24 PolarHBondContact O-N 3.04Å; T21-L24 PolarHBondContact O-N 3.38Å; L24-R26 VanDerWaalsContact C-N 3.35Å; L24-R26 PolarHBondContact O-N 2.89Å; L24-Y27 PolarHBondContact O-N 3.44Å; L24-V28 WeakPolarHBondContact O-CG2 3.3Å; L24-V28 PolarHBondContact O-N 3.21Å; L24-V37 HydrophobicContact CB-CB 4.42Å; L24-V37 HydrophobicContact CB-CG1 4.24Å; L24-V37 HydrophobicContact CB-CG2 4.12Å; L24-V37 HydrophobicContact CD1-CG1 4.41Å; L24-L83 HydrophobicContact CD2-CD2 3.85Å; L24-I90 HydrophobicContact CD2-CG2 4.21Å; L24-F94 HydrophobicContact CD1-CZ 4.34Å; L24-F94 HydrophobicContact CD2-CE1 4.49Å; L24-F94 HydrophobicContact CD2-CZ 3.96Å; L24-F94 HydrophobicContact CG-CE1 4.44Å; L24-F94 HydrophobicContact CG-CZ 3.95Å
25D96.5Very high95.5Very high8 Ų860.1 Ų60.14%0.04330%0.297CS..Hα-helixtrans-55-49.4174.3-81.5-30000111.2T21 E22 I23 Y27 V28 Q29 K36 V37T21-D25 WeakPolarHBondContact O-CB 3.33Å; T21-D25 VanDerWaalsContact O-CG 3.26Å; T21-D25 PolarHBondContact O-N 2.89Å; E22-D25 WeakPolarHBondContact O-CB 3.39Å; E22-D25 PolarHBondContact O-N 2.92Å; I23-D25 VanDerWaalsContact C-N 3.29Å; I23-D25 PolarHBondContact O-N 3.45Å; D25-Y27 VanDerWaalsContact C-N 3.34Å; D25-Y27 PolarHBondContact O-N 3.01Å; D25-V28 PolarHBondContact O-N 3.22Å; D25-Q29 WeakPolarHBondContact O-CB 3.38Å; D25-Q29 WeakPolarHBondContact O-CG 3.49Å; D25-Q29 PolarHBondContact O-N 3.07Å; D25-K36 WeakPolarHBondContact OD2-CD 3.36Å; D25-K36 WeakPolarHBondContact OD2-CE 3.36Å; D25-K36 IonicContact OD2-NZ 2.65Å; D25-K36 PolarHBondContact OD2-NZ 3.18Å; D25-V37 WeakPolarHBondContact OD1-CA 3.35Å; D25-V37 WeakPolarHBondContact OD1-CB 3.23Å; D25-V37 PolarHBondContact OD1-N 3.35Å
26R96Very high95.5Very high114 Ų11456.8 Ų56.843%0.4328%0.283SS..Hα-helixtrans-56.4-47.3179-179.4171.861-137.73.2111.8E22 I23 L24 V28 Q29 E30 D93E22-R26 PolarHBondContact O-N 3.39Å; E22-R26 VanDerWaalsContact O-N 3.12Å; I23-R26 WeakPolarHBondContact O-CB 3.46Å; I23-R26 PolarHBondContact O-N 3.18Å; L24-R26 VanDerWaalsContact C-N 3.35Å; L24-R26 PolarHBondContact O-N 2.89Å; R26-V28 PolarHBondContact O-N 2.84Å; R26-Q29 PolarHBondContact O-N 3.36Å; R26-E30 WeakPolarHBondContact O-CG 3.38Å; R26-E30 PolarHBondContact O-N 2.94Å; R26-E30 VanDerWaalsContact O-N 3.12Å; R26-D93 IonicContact CZ-OD2 2.63Å; R26-D93 IonicContact NH2-OD2 2.63Å; R26-D93 PolarHBondContact NH2-OD2 2.92Å
27Y95.4Very high95.6Very high19 Ų1954 Ų548%0.07527%0.27CS..Hα-helixtrans-67.9-35.9-178.4-76.4-68.6000113.9I23 L24 D25 K86 D89 I90 D93I23-Y27 HydrophobicContact CG2-CD2 3.88Å; I23-Y27 HydrophobicContact CG2-CE2 3.62Å; I23-Y27 WeakPolarHBondContact O-CD2 3.38Å; I23-Y27 PolarHBondContact O-N 3.44Å; L24-Y27 PolarHBondContact O-N 3.44Å; D25-Y27 VanDerWaalsContact C-N 3.34Å; D25-Y27 PolarHBondContact O-N 3.01Å; Y27-K86 HydrophobicContact CD1-CB 4.19Å; Y27-K86 HydrophobicContact CD1-CD 3.51Å; Y27-K86 HydrophobicContact CD1-CG 4.5Å; Y27-K86 HydrophobicContact CE1-CB 4.43Å; Y27-K86 HydrophobicContact CE1-CD 4.1Å; Y27-K86 HydrophobicContact CG-CD 4.47Å; Y27-D89 HydrophobicContact CE1-CB 4.08Å; Y27-D89 WeakPolarHBondContact OH-CB 3.34Å; Y27-D89 PolarHBondContact OH-O 3.28Å; Y27-I90 HydrophobicContact CD1-CG1 4.27Å; Y27-I90 HydrophobicContact CD2-CB 4.48Å; Y27-I90 HydrophobicContact CD2-CD1 4.28Å; Y27-I90 HydrophobicContact CD2-CG1 3.42Å; Y27-I90 VanDerWaalsContact CD2-CG1 3.42Å; Y27-I90 HydrophobicContact CE1-CG1 4.32Å; Y27-I90 HydrophobicContact CE2-CB 4.19Å; Y27-I90 HydrophobicContact CE2-CG1 3.49Å; Y27-I90 VanDerWaalsContact CE2-CG1 3.49Å; Y27-I90 HydrophobicContact CG-CD1 4.33Å; Y27-I90 HydrophobicContact CG-CG1 3.81Å; Y27-I90 PolarHBondContact OH-N 3.05Å; Y27-D93 WeakPolarHBondContact CE2-OD2 3.33Å; Y27-D93 PolarHBondContact OH-OD2 2.8Å
28V95.2Very high95.6Very high0 Ų054.6 Ų54.60%028%0.276CS..Hα-helixtrans-74.5-36.8175.7179.30000110.6L24 D25 R26 E30 Q31 I32 A35 V37 A65 I74 L79 L83L24-V28 WeakPolarHBondContact O-CG2 3.3Å; L24-V28 PolarHBondContact O-N 3.21Å; D25-V28 PolarHBondContact O-N 3.22Å; R26-V28 PolarHBondContact O-N 2.84Å; V28-E30 VanDerWaalsContact C-N 3.3Å; V28-E30 PolarHBondContact O-N 3.34Å; V28-Q31 PolarHBondContact O-N 3.12Å; V28-I32 PolarHBondContact O-N 3.49Å; V28-A35 HydrophobicContact CG1-CB 3.72Å; V28-V37 HydrophobicContact CB-CG2 4.1Å; V28-V37 HydrophobicContact CG2-CG2 3.73Å; V28-A65 HydrophobicContact CG1-CB 4.04Å; V28-I74 HydrophobicContact CG1-CD1 4.02Å; V28-L79 HydrophobicContact CG2-CD1 4.12Å; V28-L83 HydrophobicContact CG2-CD2 4.05Å
29Q95.4Very high95.6Very high80 Ų8048.7 Ų48.737%0.37425%0.251SS..Hα-helixtrans-65.9-29.4178.2-76.6172.421.900113.6D25 R26 Q31 I32 A35D25-Q29 WeakPolarHBondContact O-CB 3.38Å; D25-Q29 WeakPolarHBondContact O-CG 3.49Å; D25-Q29 PolarHBondContact O-N 3.07Å; R26-Q29 PolarHBondContact O-N 3.36Å; Q29-Q31 PolarHBondContact O-N 2.78Å; Q29-I32 WeakPolarHBondContact CA-O 3.26Å; Q29-I32 CarbonylContact O-C 3.6Å; Q29-A35 WeakPolarHBondContact CG-O 3.39Å; Q29-A35 PolarHBondContact NE2-O 3.34Å
30E94.5Very high95.6Very high116 Ų11650.5 Ų50.554%0.54226%0.257SS..THydrogen-bonded Turntrans-61.8-27.1171.8-76.7176.1-167.500112.7R26 V28 K86R26-E30 WeakPolarHBondContact O-CG 3.38Å; R26-E30 PolarHBondContact O-N 2.94Å; R26-E30 VanDerWaalsContact O-N 3.12Å; V28-E30 VanDerWaalsContact C-N 3.3Å; V28-E30 PolarHBondContact O-N 3.34Å; E30-K86 IonicContact OE2-NZ 2.74Å; E30-K86 PolarHBondContact OE2-NZ 3.36Å
31Q93.1Very high95.6Very high90 Ų9053.4 Ų53.442%0.42128%0.278SS..THydrogen-bonded Turntrans-92.9-43176.8-54-62.9-12.200111.4V28 Q29 F82V28-Q31 PolarHBondContact O-N 3.12Å; Q29-Q31 PolarHBondContact O-N 2.78Å; Q31-F82 HydrophobicContact CB-CD1 4.03Å; Q31-F82 HydrophobicContact CB-CD2 4.1Å; Q31-F82 HydrophobicContact CB-CE1 4Å; Q31-F82 HydrophobicContact CB-CE2 4.06Å; Q31-F82 HydrophobicContact CB-CG 4.09Å; Q31-F82 HydrophobicContact CB-CZ 4.02Å; Q31-F82 HydrophobicContact CG-CB 4.17Å; Q31-F82 HydrophobicContact CG-CD1 3.68Å; Q31-F82 HydrophobicContact CG-CD2 4.26Å; Q31-F82 HydrophobicContact CG-CE1 4.11Å; Q31-F82 HydrophobicContact CG-CG 3.77Å
32I92.7Very high95.6Very high32 Ų3254.9 Ų54.916%0.16428%0.284CS..SBendtrans-128.9100.7-178.4-61.5178.2000108.8V28 Q29 G34 A35 D67 I74 F82V28-I32 PolarHBondContact O-N 3.49Å; Q29-I32 WeakPolarHBondContact CA-O 3.26Å; Q29-I32 CarbonylContact O-C 3.6Å; I32-G34 PolarHBondContact O-N 3.31Å; I32-A35 HydrophobicContact CB-CB 3.97Å; I32-A35 HydrophobicContact CG2-CB 3.96Å; I32-A35 VanDerWaalsContact O-CB 3.25Å; I32-A35 WeakPolarHBondContact O-CB 3.46Å; I32-A35 PolarHBondContact O-N 3.49Å; I32-D67 HydrophobicContact CG2-CB 4.12Å; I32-D67 WeakPolarHBondContact CG2-OD1 3.39Å; I32-I74 HydrophobicContact CD1-CD1 3.61Å; I32-I74 HydrophobicContact CD1-CG1 3.78Å; I32-I74 HydrophobicContact CD1-CG2 4.22Å; I32-F82 HydrophobicContact CD1-CE2 3.76Å; I32-F82 HydrophobicContact CD1-CZ 4.21Å; I32-F82 HydrophobicContact CG1-CE2 4.19Å; I32-F82 HydrophobicContact CG1-CZ 4.47Å
33P94.4Very high95.6Very high90 Ų9050 Ų5058%0.58427%0.269SS*.THydrogen-bonded Turntrans-56.2122.9-177-27.835.5000112.7
34G93.8Very high95.6Very high46 Ų4650 Ų5047%0.47427%0.27SS..THydrogen-bonded Turntrans83.64.7179.600000115.3I32 P68I32-G34 PolarHBondContact O-N 3.31Å; G34-P68 VanDerWaalsContact O-CD 3.29Å; G34-P68 WeakPolarHBondContact O-CD 3.49Å; G34-P68 WeakPolarHBondContact O-CG 3.37Å
35A95.8Very high95.7Very high0 Ų052.5 Ų52.50%028%0.28CS..  trans-59.6143.1171.700000111.8V28 Q29 I32 I66 I74V28-A35 HydrophobicContact CG1-CB 3.72Å; Q29-A35 WeakPolarHBondContact CG-O 3.39Å; Q29-A35 PolarHBondContact NE2-O 3.34Å; I32-A35 HydrophobicContact CB-CB 3.97Å; I32-A35 HydrophobicContact CG2-CB 3.96Å; I32-A35 VanDerWaalsContact O-CB 3.25Å; I32-A35 WeakPolarHBondContact O-CB 3.46Å; I32-A35 PolarHBondContact O-N 3.49Å; A35-I66 VanDerWaalsContact CA-O 3.29Å; A35-I66 WeakPolarHBondContact CA-O 3.19Å; A35-I74 HydrophobicContact CB-CD1 3.84Å
36K96.6Very high95.6Very high113 Ų11356.8 Ų56.849%0.49130%0.295SS..EExtended strand (participates in β ladder)trans-122.8121.1179-174.168.6-177.2171.30110.5D25 A65 I66D25-K36 WeakPolarHBondContact OD2-CD 3.36Å; D25-K36 WeakPolarHBondContact OD2-CE 3.36Å; D25-K36 IonicContact OD2-NZ 2.65Å; D25-K36 PolarHBondContact OD2-NZ 3.18Å; K36-A65 CarbonylContact O-C 3.59Å; K36-A65 VanDerWaalsContact O-CA 3.29Å; K36-A65 WeakPolarHBondContact O-CA 3.47Å; K36-I66 PolarHBondContact N-O 3.12Å; K36-I66 PolarHBondContact O-N 2.84Å
37V96.8Very high95.5Very high4 Ų454.9 Ų54.92%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-76.7132.2172.9-176.90000108.9T21 L24 D25 V28 V63 Y64 A65T21-V37 HydrophobicContact CG2-CB 4.29Å; T21-V37 HydrophobicContact CG2-CG1 4.46Å; L24-V37 HydrophobicContact CB-CB 4.42Å; L24-V37 HydrophobicContact CB-CG1 4.24Å; L24-V37 HydrophobicContact CB-CG2 4.12Å; L24-V37 HydrophobicContact CD1-CG1 4.41Å; D25-V37 WeakPolarHBondContact OD1-CA 3.35Å; D25-V37 WeakPolarHBondContact OD1-CB 3.23Å; D25-V37 PolarHBondContact OD1-N 3.35Å; V28-V37 HydrophobicContact CB-CG2 4.1Å; V28-V37 HydrophobicContact CG2-CG2 3.73Å; V37-V63 HydrophobicContact CG1-CB 4.09Å; V37-V63 HydrophobicContact CG1-CG1 4.25Å; V37-Y64 WeakPolarHBondContact CA-O 3.25Å; V37-A65 HydrophobicContact CG2-CB 4.23Å
38V96.9Very high95.3Very high47 Ų4756 Ų5629%0.28531%0.308SS..EExtended strand (participates in β ladder)trans-123131.7179-176.30000108.4V63 Y64 I66V38-V63 WeakPolarHBondContact O-CA 3.5Å; V38-Y64 HydrophobicContact CB-CD1 4.46Å; V38-Y64 HydrophobicContact CB-CD2 4.26Å; V38-Y64 HydrophobicContact CB-CE1 3.99Å; V38-Y64 HydrophobicContact CB-CE2 3.76Å; V38-Y64 HydrophobicContact CG1-CE1 3.89Å; V38-Y64 HydrophobicContact CG1-CE2 4.16Å; V38-Y64 WeakPolarHBondContact CG1-OH 3.39Å; V38-Y64 HydrophobicContact CG2-CE2 4.11Å; V38-Y64 PolarHBondContact N-O 2.96Å; V38-Y64 PolarHBondContact O-N 3.43Å; V38-I66 HydrophobicContact CG2-CG1 4.32Å
39V97.3Very high94.9Very high41 Ų4162.9 Ų62.925%0.24835%0.345CS..EExtended strand (participates in β ladder)trans-88.5121.1177.3-179.60000108.5I17 T21 I42 L61 V63I17-V39 HydrophobicContact CD1-CG1 4.24Å; I17-V39 HydrophobicContact CD1-CG2 3.76Å; I17-V39 HydrophobicContact CG1-CG1 4.42Å; I17-V39 HydrophobicContact CG1-CG2 3.91Å; T21-V39 WeakPolarHBondContact OG1-CG2 3.42Å; V39-I42 HydrophobicContact CG1-CD1 4.22Å; V39-I42 HydrophobicContact CG1-CG1 3.85Å; V39-L61 HydrophobicContact CG1-CD1 3.59Å; V39-L61 HydrophobicContact CG2-CD1 4.33Å; V39-V63 HydrophobicContact CG2-CG1 4.21Å
40E96.1Very high94.5Very high103 Ų10362.1 Ų62.148%0.48135%0.352SS..EExtended strand (participates in β ladder)trans-87.1-48.6178.7-179.469.1-173.200111.1M1 T62 Y64M1-E40 HydrophobicContact CE-CB 4.23Å; M1-E40 VanDerWaalsContact CE-CD 3.45Å; M1-E40 HydrophobicContact CE-CG 3.65Å; M1-E40 HydrophobicContact SD-CG 4.17Å; E40-T62 HydrophobicContact CB-CG2 4.03Å; E40-T62 HydrophobicContact CG-CG2 4.42Å; E40-T62 PolarHBondContact N-O 3.46Å; E40-Y64 HydrophobicContact CB-CD1 4.3Å; E40-Y64 HydrophobicContact CB-CE1 4.16Å; E40-Y64 WeakPolarHBondContact OE2-CE1 3.43Å
41S95.5Very high94.2Very high61 Ų6160.1 Ų60.143%0.42734%0.34SS..EExtended strand (participates in β ladder)trans-157.6151.3-179.456.80000111.9T62S41-T62 PolarHBondContact O-N 3.49Å; S41-T62 WeakPolarHBondContact OG-CB 3.42Å; S41-T62 PolarHBondContact OG-OG1 2.78Å
42I96.9Very high94.1Very high48 Ų4859.6 Ų59.625%0.24635%0.346CS..EExtended strand (participates in β ladder)trans-123.9127.9175.3-50179.6000106.6P10 V13 E14 I17 V39 L61P10-I42 HydrophobicContact CB-CG2 4.12Å; V13-I42 HydrophobicContact CB-CG2 4.27Å; V13-I42 HydrophobicContact CG1-CG2 4.18Å; E14-I42 HydrophobicContact CB-CD1 4.05Å; E14-I42 HydrophobicContact CG-CD1 4.3Å; I17-I42 HydrophobicContact CB-CD1 4.26Å; I17-I42 HydrophobicContact CD1-CD1 3.76Å; I17-I42 HydrophobicContact CG1-CD1 3.86Å; V39-I42 HydrophobicContact CG1-CD1 4.22Å; V39-I42 HydrophobicContact CG1-CG1 3.85Å; I42-L61 HydrophobicContact CD1-CD1 4.35Å; I42-L61 HydrophobicContact CG1-CD1 3.81Å
43G96.3Very high94.1Very high27 Ų2762.6 Ų62.628%0.27836%0.362SS..EExtended strand (participates in β ladder)trans-154.9173.8-177.800000113.6C59 D60G43-C59 WeakPolarHBondContact O-CA 3.35Å; G43-D60 PolarHBondContact N-O 3.37Å; G43-D60 PolarHBondContact O-N 3.03Å
44A97.1Very high94.2Very high10 Ų1062.1 Ų62.18%0.08335%0.352CS..EExtended strand (participates in β ladder)trans-58.5148.517100000110.6R46 E54 Y56A44-R46 PolarHBondContact O-N 3.44Å; A44-E54 HydrophobicContact CB-CB 4.09Å; A44-Y56 HydrophobicContact CB-CD1 3.8Å; A44-Y56 HydrophobicContact CB-CD2 4.09Å; A44-Y56 HydrophobicContact CB-CE1 3.87Å; A44-Y56 HydrophobicContact CB-CE2 4.12Å; A44-Y56 HydrophobicContact CB-CG 3.92Å
45R97.1Very high94.3Very high54 Ų5461.5 Ų61.520%0.20434%0.338CS..EExtended strand (participates in β ladder)trans-63121.4177.9178.9-175-175.7-172.69.4109.9V5 D55 K58 E106V5-R45 HydrophobicContact CG1-CG 3.9Å; R45-D55 HydrophobicContact CB-CB 4.34Å; R45-D55 PolarHBondContact N-O 3.38Å; R45-D55 PolarHBondContact O-N 2.85Å; R45-K58 HydrophobicContact CB-CB 3.55Å; R45-K58 HydrophobicContact CG-CB 4.3Å; R45-K58 PolarHBondContact N-O 2.74Å; R45-E106 IonicContact CZ-OE1 3.78Å; R45-E106 IonicContact NH2-OE1 2.65Å; R45-E106 PolarHBondContact NH2-OE1 3.12Å
46R95.1Very high94.4Very high98 Ų9868.7 Ų68.737%0.3737%0.366SS..EExtended strand (participates in β ladder)trans-80.9134.2172.5-58.7-73-179.3174.2-11.6110A44 Y51 L53 E54 D60A44-R46 PolarHBondContact O-N 3.44Å; R46-Y51 HydrophobicContact CB-CD1 4.02Å; R46-Y51 HydrophobicContact CB-CG 4.45Å; R46-Y51 WeakPolarHBondContact CD-O 3.49Å; R46-Y51 WeakPolarHBondContact O-CD1 3.38Å; R46-L53 CarbonylContact C-O 3.13Å; R46-L53 VanDerWaalsContact CA-O 3.26Å; R46-L53 WeakPolarHBondContact CA-O 3.33Å; R46-E54 VanDerWaalsContact CZ-CD 3.43Å; R46-E54 IonicContact CZ-OE1 2.94Å; R46-E54 IonicContact NH1-OE1 2.66Å; R46-E54 PolarHBondContact NH1-OE1 2.93Å; R46-E54 VanDerWaalsContact NH2-CD 3.33Å; R46-E54 IonicContact NH2-OE1 2.68Å; R46-E54 PolarHBondContact NH2-OE1 3.39Å; R46-D60 PolarHBondContact N-OD2 3.46Å
47H93.2Very high94.4Very high73 Ų7366.2 Ų66.234%0.33836%0.363SS..EExtended strand (participates in β ladder)trans-152.3-178.4175.972.190.5000111.9Y51 S52 L53H47-Y51 CarbonylContact O-C 3.46Å; H47-Y51 WeakPolarHBondContact O-CA 3.25Å; H47-S52 PolarHBondContact O-N 3.5Å; H47-L53 PolarHBondContact N-O 3.34Å; H47-L53 WeakPolarHBondContact O-CB 3.45Å; H47-L53 PolarHBondContact O-N 3.27Å
48G90.6Very high94.4Very high42 Ų4268.4 Ų68.443%0.43337%0.372SS..SBendtrans78.4-165.4-178.900000113.3A50 Y51G48-A50 PolarHBondContact O-N 2.97Å; G48-Y51 PolarHBondContact O-N 3.33Å; G48-Y51 VanDerWaalsContact O-N 3.1Å
49D87.8Confident94.4Very high146 Ų14666.2 Ų66.278%0.78136%0.359SS*.G310 helixtrans-62.7123.1-176.7-68-22.5000110.6Y51 S52D49-Y51 PolarHBondContact O-N 2.94Å; D49-Y51 VanDerWaalsContact O-N 3.08Å; D49-S52 WeakPolarHBondContact O-CB 3.34Å; D49-S52 PolarHBondContact O-N 3.25Å; D49-S52 PolarHBondContact O-OG 3.48Å
50A86.1Confident94.4Very high63 Ų6364.7 Ų64.752%0.52135%0.349SS..G310 helixtrans49.132.9-174.800000113.7G48 S52 E111G48-A50 PolarHBondContact O-N 2.97Å; A50-S52 PolarHBondContact O-N 3.42Å; A50-S52 VanDerWaalsContact O-N 3.16Å; A50-E111 VanDerWaalsContact O-OE1 3.13Å
51Y90Very high94.4Very high75 Ų7559.8 Ų59.829%0.29433%0.326SS..G310 helixtrans58.327.7177.6-67.6-80.9000114.3R46 H47 G48 D49 R108 E111R46-Y51 HydrophobicContact CB-CD1 4.02Å; R46-Y51 HydrophobicContact CB-CG 4.45Å; R46-Y51 WeakPolarHBondContact CD-O 3.49Å; R46-Y51 WeakPolarHBondContact O-CD1 3.38Å; H47-Y51 CarbonylContact O-C 3.46Å; H47-Y51 WeakPolarHBondContact O-CA 3.25Å; G48-Y51 PolarHBondContact O-N 3.33Å; G48-Y51 VanDerWaalsContact O-N 3.1Å; D49-Y51 PolarHBondContact O-N 2.94Å; D49-Y51 VanDerWaalsContact O-N 3.08Å; Y51-R108 VanDerWaalsContact CD1-NH1 3.3Å; Y51-R108 VanDerWaalsContact CE1-CZ 3.42Å; Y51-E111 WeakPolarHBondContact CB-OE2 3.42Å; Y51-E111 HydrophobicContact CD2-CB 4.05Å; Y51-E111 HydrophobicContact CD2-CG 3.84Å; Y51-E111 HydrophobicContact CG-CB 4.41Å; Y51-E111 HydrophobicContact CG-CG 4.36Å
52S89.6Confident94.5Very high78 Ų7857.8 Ų57.855%0.54531%0.312SS..  trans-75.7-26.6-176.354.80000114.6H47 D49 A50H47-S52 PolarHBondContact O-N 3.5Å; D49-S52 WeakPolarHBondContact O-CB 3.34Å; D49-S52 PolarHBondContact O-N 3.25Å; D49-S52 PolarHBondContact O-OG 3.48Å; A50-S52 PolarHBondContact O-N 3.42Å; A50-S52 VanDerWaalsContact O-N 3.16Å
53L93.8Very high94.5Very high95 Ų9555.6 Ų55.650%0.49730%0.3SS..EExtended strand (participates in β ladder)trans-87.1147.3-178.9-58.3174.5000111.1R46 H47R46-L53 CarbonylContact C-O 3.13Å; R46-L53 VanDerWaalsContact CA-O 3.26Å; R46-L53 WeakPolarHBondContact CA-O 3.33Å; H47-L53 PolarHBondContact N-O 3.34Å; H47-L53 WeakPolarHBondContact O-CB 3.45Å; H47-L53 PolarHBondContact O-N 3.27Å
54E96Very high94.5Very high80 Ų8056.9 Ų56.937%0.37430%0.297SS..EExtended strand (participates in β ladder)trans-117.8123.9-179.1-66.2175.5-163.900110.7A44 R46 Y56A44-E54 HydrophobicContact CB-CB 4.09Å; R46-E54 VanDerWaalsContact CZ-CD 3.43Å; R46-E54 IonicContact CZ-OE1 2.94Å; R46-E54 IonicContact NH1-OE1 2.66Å; R46-E54 PolarHBondContact NH1-OE1 2.93Å; R46-E54 VanDerWaalsContact NH2-CD 3.33Å; R46-E54 IonicContact NH2-OE1 2.68Å; R46-E54 PolarHBondContact NH2-OE1 3.39Å; E54-Y56 HydrophobicContact CB-CD2 4.44Å; E54-Y56 HydrophobicContact CB-CE2 3.92Å; E54-Y56 WeakPolarHBondContact OE2-CE2 3.46Å; E54-Y56 VanDerWaalsContact OE2-CZ 3.26Å; E54-Y56 PolarHBondContact OE2-OH 3.24Å
55D96.5Very high94.5Very high34 Ų3456.4 Ų56.418%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-109.6103.3173.51787.5000110.1R45 S57 K58R45-D55 HydrophobicContact CB-CB 4.34Å; R45-D55 PolarHBondContact N-O 3.38Å; R45-D55 PolarHBondContact O-N 2.85Å; D55-S57 VanDerWaalsContact CG-OG 3.22Å; D55-S57 PolarHBondContact O-N 3.33Å; D55-S57 VanDerWaalsContact OD1-CB 3.28Å; D55-S57 WeakPolarHBondContact OD1-CB 3.39Å; D55-S57 PolarHBondContact OD1-N 2.98Å; D55-S57 PolarHBondContact OD1-OG 3.46Å; D55-S57 PolarHBondContact OD2-OG 3.16Å; D55-K58 PolarHBondContact O-N 3.42Å; D55-K58 WeakPolarHBondContact OD2-CD 3.11Å; D55-K58 IonicContact OD2-NZ 3.68Å; D55-K58 PolarHBondContact OD2-NZ 3.11Å
56Y97Very high94.5Very high151 Ų15156.6 Ų56.659%0.59230%0.298SS*.EExtended strand (participates in β ladder)trans-73.8-9179.8-73.3-91.7000113.9P10 A44 E54 K58P10-Y56 WeakPolarHBondContact CD-O 3.11Å; A44-Y56 HydrophobicContact CB-CD1 3.8Å; A44-Y56 HydrophobicContact CB-CD2 4.09Å; A44-Y56 HydrophobicContact CB-CE1 3.87Å; A44-Y56 HydrophobicContact CB-CE2 4.12Å; A44-Y56 HydrophobicContact CB-CG 3.92Å; E54-Y56 HydrophobicContact CB-CD2 4.44Å; E54-Y56 HydrophobicContact CB-CE2 3.92Å; E54-Y56 WeakPolarHBondContact OE2-CE2 3.46Å; E54-Y56 VanDerWaalsContact OE2-CZ 3.26Å; E54-Y56 PolarHBondContact OE2-OH 3.24Å; Y56-K58 PolarHBondContact O-N 3.28Å
57S96.4Very high94.6Very high60 Ų6052.6 Ų52.642%0.4228%0.284SS..EExtended strand (participates in β ladder)trans-74.5-16.5171.573.50000112.5V8 D55V8-S57 CarbonylContact C-O 3.51Å; V8-S57 VanDerWaalsContact C-O 3.31Å; D55-S57 VanDerWaalsContact CG-OG 3.22Å; D55-S57 PolarHBondContact O-N 3.33Å; D55-S57 VanDerWaalsContact OD1-CB 3.28Å; D55-S57 WeakPolarHBondContact OD1-CB 3.39Å; D55-S57 PolarHBondContact OD1-N 2.98Å; D55-S57 PolarHBondContact OD1-OG 3.46Å; D55-S57 PolarHBondContact OD2-OG 3.16Å
58K97Very high94.7Very high51 Ų5152 Ų5222%0.22229%0.287CS..EExtended strand (participates in β ladder)trans-127.2165.5-177.2-59.5-178.6-168.861.80109.6S6 V8 R45 D55 Y56 L105S6-K58 WeakPolarHBondContact O-CA 3.39Å; S6-K58 VanDerWaalsContact O-CB 3.31Å; S6-K58 WeakPolarHBondContact O-CB 3.33Å; V8-K58 CarbonylContact O-C 3.48Å; V8-K58 VanDerWaalsContact O-CA 3.31Å; V8-K58 WeakPolarHBondContact O-CA 3.13Å; R45-K58 HydrophobicContact CB-CB 3.55Å; R45-K58 HydrophobicContact CG-CB 4.3Å; R45-K58 PolarHBondContact N-O 2.74Å; D55-K58 PolarHBondContact O-N 3.42Å; D55-K58 WeakPolarHBondContact OD2-CD 3.11Å; D55-K58 IonicContact OD2-NZ 3.68Å; D55-K58 PolarHBondContact OD2-NZ 3.11Å; Y56-K58 PolarHBondContact O-N 3.28Å; K58-L105 HydrophobicContact CD-CD1 4.11Å
59C97.2Very high94.8Very high0 Ų057 Ų570%030%0.299CS..EExtended strand (participates in β ladder)trans-127.3137.8-174.6-179.50000110.5V5 S6 V8 P10 V13 G43V5-C59 CarbonylContact C-O 3.31Å; V5-C59 WeakPolarHBondContact CA-O 3.33Å; S6-C59 PolarHBondContact N-O 3Å; S6-C59 PolarHBondContact O-N 3.49Å; V8-C59 WeakPolarHBondContact O-CB 3.32Å; V8-C59 PolarHBondContact O-N 2.89Å; P10-C59 HydrophobicContact CB-CB 4.32Å; V13-C59 HydrophobicContact CG2-CB 3.82Å; G43-C59 WeakPolarHBondContact O-CA 3.35Å
60D97.3Very high95Very high9 Ų953.7 Ų53.75%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-103.3115.3162.1-78.9-9.8000108.7V3 V5 G43 R46 R108V3-D60 HydrophobicContact CG1-CB 3.65Å; V5-D60 WeakPolarHBondContact CG2-OD1 3.33Å; G43-D60 PolarHBondContact N-O 3.37Å; G43-D60 PolarHBondContact O-N 3.03Å; R46-D60 PolarHBondContact N-OD2 3.46Å; D60-R108 IonicContact OD1-NE 2.8Å; D60-R108 IonicContact OD1-NH2 3.96Å; D60-R108 IonicContact OD2-CZ 2.77Å; D60-R108 IonicContact OD2-NE 2.92Å; D60-R108 IonicContact OD2-NH2 2.6Å; D60-R108 PolarHBondContact OD2-NH2 3.5Å
61L97Very high95.4Very high0 Ų057.1 Ų57.10%029%0.293CS..EExtended strand (participates in β ladder)trans-105.9108.5176.5170.863.4000109V3 I4 V13 I17 V39 I42 V63V3-L61 CarbonylContact C-O 3.44Å; V3-L61 WeakPolarHBondContact CA-O 3.36Å; I4-L61 HydrophobicContact CB-CB 4.24Å; I4-L61 HydrophobicContact CD1-CD2 4.4Å; I4-L61 PolarHBondContact N-O 3.19Å; I4-L61 PolarHBondContact O-N 3.4Å; V13-L61 HydrophobicContact CG1-CD1 4.47Å; V13-L61 HydrophobicContact CG1-CD2 4.27Å; I17-L61 HydrophobicContact CD1-CD1 3.84Å; I17-L61 HydrophobicContact CD1-CD2 4.37Å; V39-L61 HydrophobicContact CG1-CD1 3.59Å; V39-L61 HydrophobicContact CG2-CD1 4.33Å; I42-L61 HydrophobicContact CD1-CD1 4.35Å; I42-L61 HydrophobicContact CG1-CD1 3.81Å; L61-V63 HydrophobicContact CD1-CG1 4.17Å; L61-V63 HydrophobicContact CD2-CG1 4.32Å; L61-V63 HydrophobicContact CG-CG1 3.9Å
62T96.8Very high95.7Very high20 Ų2062.6 Ų62.612%0.12331%0.313CS..EExtended strand (participates in β ladder)trans-89.4120.4179.9-53.60000110.3M1 Q2 V3 E40 S41M1-T62 HydrophobicContact CB-CG2 4.18Å; M1-T62 HydrophobicContact CG-CG2 4.44Å; M1-T62 HydrophobicContact SD-CG2 4.3Å; Q2-T62 WeakPolarHBondContact O-CA 3.49Å; V3-T62 HydrophobicContact CG2-CG2 4.43Å; E40-T62 HydrophobicContact CB-CG2 4.03Å; E40-T62 HydrophobicContact CG-CG2 4.42Å; E40-T62 PolarHBondContact N-O 3.46Å; S41-T62 PolarHBondContact O-N 3.49Å; S41-T62 WeakPolarHBondContact OG-CB 3.42Å; S41-T62 PolarHBondContact OG-OG1 2.78Å
63V97Very high95.9Very high1 Ų161.7 Ų61.71%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-130.2155.1-177.7-64.10000112.5M1 Q2 I4 V37 V38 V39 L61 L83M1-V63 CarbonylContact C-O 3.59Å; M1-V63 WeakPolarHBondContact CA-O 3.5Å; Q2-V63 PolarHBondContact N-O 3.01Å; Q2-V63 PolarHBondContact O-N 3.1Å; I4-V63 HydrophobicContact CD1-CG2 3.76Å; I4-V63 HydrophobicContact CG1-CG2 4.09Å; V37-V63 HydrophobicContact CG1-CB 4.09Å; V37-V63 HydrophobicContact CG1-CG1 4.25Å; V38-V63 WeakPolarHBondContact O-CA 3.5Å; V39-V63 HydrophobicContact CG2-CG1 4.21Å; L61-V63 HydrophobicContact CD1-CG1 4.17Å; L61-V63 HydrophobicContact CD2-CG1 4.32Å; L61-V63 HydrophobicContact CG-CG1 3.9Å; V63-L83 HydrophobicContact CG2-CD1 4.49Å
64Y96.9Very high96Very high54 Ų5458 Ų5821%0.21229%0.292CS..EExtended strand (participates in β ladder)trans-139.7164.2162.960.7-82.7000108.7M1 V37 V38 E40 I66M1-Y64 HydrophobicContact CE-CD1 4.03Å; M1-Y64 HydrophobicContact CE-CE1 4.19Å; M1-Y64 HydrophobicContact CG-CD1 4.02Å; M1-Y64 HydrophobicContact CG-CG 4.37Å; V37-Y64 WeakPolarHBondContact CA-O 3.25Å; V38-Y64 HydrophobicContact CB-CD1 4.46Å; V38-Y64 HydrophobicContact CB-CD2 4.26Å; V38-Y64 HydrophobicContact CB-CE1 3.99Å; V38-Y64 HydrophobicContact CB-CE2 3.76Å; V38-Y64 HydrophobicContact CG1-CE1 3.89Å; V38-Y64 HydrophobicContact CG1-CE2 4.16Å; V38-Y64 WeakPolarHBondContact CG1-OH 3.39Å; V38-Y64 HydrophobicContact CG2-CE2 4.11Å; V38-Y64 PolarHBondContact N-O 2.96Å; V38-Y64 PolarHBondContact O-N 3.43Å; E40-Y64 HydrophobicContact CB-CD1 4.3Å; E40-Y64 HydrophobicContact CB-CE1 4.16Å; E40-Y64 WeakPolarHBondContact OE2-CE1 3.43Å; Y64-I66 HydrophobicContact CD2-CD1 3.81Å; Y64-I66 HydrophobicContact CD2-CG1 4.25Å; Y64-I66 HydrophobicContact CE2-CD1 3.68Å; Y64-I66 HydrophobicContact CE2-CG1 3.99Å
65A96.7Very high95.9Very high0 Ų057.9 Ų57.90%029%0.294CS..EExtended strand (participates in β ladder)trans-122.8141.4177.400000109.9V28 K36 V37 A73 I74 L79V28-A65 HydrophobicContact CG1-CB 4.04Å; K36-A65 CarbonylContact O-C 3.59Å; K36-A65 VanDerWaalsContact O-CA 3.29Å; K36-A65 WeakPolarHBondContact O-CA 3.47Å; V37-A65 HydrophobicContact CG2-CB 4.23Å; A65-A73 CarbonylContact O-C 3.55Å; A65-A73 VanDerWaalsContact O-CA 3.29Å; A65-A73 WeakPolarHBondContact O-CA 3.24Å; A65-I74 HydrophobicContact CB-CB 4.44Å; A65-I74 HydrophobicContact CB-CD1 3.6Å; A65-I74 HydrophobicContact CB-CG1 4.41Å; A65-I74 PolarHBondContact O-N 2.77Å; A65-L79 HydrophobicContact CB-CD1 3.99Å
66I97Very high95.8Very high59 Ų5961 Ų6130%0.30330%0.303SS..EExtended strand (participates in β ladder)trans-103128.3176.6-60.2-56.5000108.6A35 K36 V38 Y64 A73A35-I66 VanDerWaalsContact CA-O 3.29Å; A35-I66 WeakPolarHBondContact CA-O 3.19Å; K36-I66 PolarHBondContact N-O 3.12Å; K36-I66 PolarHBondContact O-N 2.84Å; V38-I66 HydrophobicContact CG2-CG1 4.32Å; Y64-I66 HydrophobicContact CD2-CD1 3.81Å; Y64-I66 HydrophobicContact CD2-CG1 4.25Å; Y64-I66 HydrophobicContact CE2-CD1 3.68Å; Y64-I66 HydrophobicContact CE2-CG1 3.99Å; I66-A73 HydrophobicContact CD1-CB 3.95Å
67D96.1Very high95.6Very high13 Ų1357.6 Ų57.67%0.0730%0.295CS..EExtended strand (participates in β ladder)trans-93.2122.6174.3165.927.1000110.1I32 Q69 T70 N71 R72 I74I32-D67 HydrophobicContact CG2-CB 4.12Å; I32-D67 WeakPolarHBondContact CG2-OD1 3.39Å; D67-Q69 PolarHBondContact O-N 3.42Å; D67-Q69 WeakPolarHBondContact OD1-CB 3.44Å; D67-Q69 PolarHBondContact OD1-N 2.99Å; D67-T70 WeakPolarHBondContact CB-OG1 3.36Å; D67-T70 WeakPolarHBondContact OD2-CB 3.42Å; D67-T70 VanDerWaalsContact OD2-CG2 3.25Å; D67-T70 WeakPolarHBondContact OD2-CG2 3.43Å; D67-T70 PolarHBondContact OD2-N 2.69Å; D67-T70 PolarHBondContact OD2-OG1 2.85Å; D67-N71 WeakPolarHBondContact O-CA 3.35Å; D67-N71 PolarHBondContact O-N 3.2Å; D67-R72 PolarHBondContact N-O 3.34Å; D67-I74 HydrophobicContact CB-CD1 4.24Å; D67-I74 HydrophobicContact CB-CG1 3.81Å
68P95Very high95.5Very high62 Ų6258.1 Ų58.140%0.40329%0.291SS..THydrogen-bonded Turntrans-68.3-21.1179.430.4-38.4000113.4G34G34-P68 VanDerWaalsContact O-CD 3.29Å; G34-P68 WeakPolarHBondContact O-CD 3.49Å; G34-P68 WeakPolarHBondContact O-CG 3.37Å
69Q92.7Very high95.4Very high146 Ų14655.7 Ų55.768%0.68228%0.28SS*.THydrogen-bonded Turntrans-74.2-45.6179.5-59.3-171.5-13.600111D67D67-Q69 PolarHBondContact O-N 3.42Å; D67-Q69 WeakPolarHBondContact OD1-CB 3.44Å; D67-Q69 PolarHBondContact OD1-N 2.99Å
70T93.9Very high95.3Very high76 Ų7658.9 Ų58.947%0.46629%0.294SS..THydrogen-bonded Turntrans-90-13.9179.957.10000113.8D67 R72D67-T70 WeakPolarHBondContact CB-OG1 3.36Å; D67-T70 WeakPolarHBondContact OD2-CB 3.42Å; D67-T70 VanDerWaalsContact OD2-CG2 3.25Å; D67-T70 WeakPolarHBondContact OD2-CG2 3.43Å; D67-T70 PolarHBondContact OD2-N 2.69Å; D67-T70 PolarHBondContact OD2-OG1 2.85Å; T70-R72 WeakPolarHBondContact O-CG 3.47Å; T70-R72 PolarHBondContact O-N 3.44Å
71N93.5Very high95.2Very high135 Ų13564.1 Ų64.172%0.72232%0.316SS*.THydrogen-bonded Turntrans52.630.6-170.2-64.2-71.1000112.7D67D67-N71 WeakPolarHBondContact O-CA 3.35Å; D67-N71 PolarHBondContact O-N 3.2Å
72R95.3Very high95.1Very high190 Ų19065.3 Ų65.372%0.71732%0.322SS*.EExtended strand (participates in β ladder)trans-131.4162.5-177.4-71.1176.4-173.5-104.71.5109.7D67 T70D67-R72 PolarHBondContact N-O 3.34Å; T70-R72 WeakPolarHBondContact O-CG 3.47Å; T70-R72 PolarHBondContact O-N 3.44Å
73A95.6Very high95Very high60 Ų6064.5 Ų64.550%0.49632%0.317SS..EExtended strand (participates in β ladder)trans-67.3137.4171.100000110A65 I66A65-A73 CarbonylContact O-C 3.55Å; A65-A73 VanDerWaalsContact O-CA 3.29Å; A65-A73 WeakPolarHBondContact O-CA 3.24Å; I66-A73 HydrophobicContact CD1-CB 3.95Å
74I95.2Very high94.8Very high17 Ų1767.8 Ų67.89%0.08733%0.334CS..PPolyproline II helixtrans-60.6141.7171.7-67.3163000108.6V28 I32 A35 A65 D67 R76 E78 L79 F82V28-I74 HydrophobicContact CG1-CD1 4.02Å; I32-I74 HydrophobicContact CD1-CD1 3.61Å; I32-I74 HydrophobicContact CD1-CG1 3.78Å; I32-I74 HydrophobicContact CD1-CG2 4.22Å; A35-I74 HydrophobicContact CB-CD1 3.84Å; A65-I74 HydrophobicContact CB-CB 4.44Å; A65-I74 HydrophobicContact CB-CD1 3.6Å; A65-I74 HydrophobicContact CB-CG1 4.41Å; A65-I74 PolarHBondContact O-N 2.77Å; D67-I74 HydrophobicContact CB-CD1 4.24Å; D67-I74 HydrophobicContact CB-CG1 3.81Å; I74-R76 PolarHBondContact O-N 3.05Å; I74-E78 HydrophobicContact CG2-CB 4.06Å; I74-L79 HydrophobicContact CG2-CB 4.36Å; I74-F82 HydrophobicContact CG2-CE2 4.13Å
75D94.2Very high94.7Very high78 Ų7868.4 Ų68.442%0.41736%0.357SS..PPolyproline II helixtrans-57142.4179-177.340.3000110.8N77 E78 L79D75-N77 PolarHBondContact O-N 3.07Å; D75-N77 WeakPolarHBondContact OD2-CB 3.49Å; D75-N77 PolarHBondContact OD2-N 2.97Å; D75-N77 PolarHBondContact OD2-ND2 3.3Å; D75-N77 VanDerWaalsContact OD2-ND2 3.12Å; D75-E78 HydrophobicContact CB-CB 4.38Å; D75-E78 HydrophobicContact CB-CG 4.24Å; D75-E78 PolarHBondContact O-N 3.47Å; D75-L79 WeakPolarHBondContact O-CB 3.35Å; D75-L79 PolarHBondContact O-N 3.29Å
76R93.3Very high94.5Very high98 Ų9870 Ų7037%0.3736%0.364SS..Hα-helixtrans-60.6-34.6-176.178.9-172102.6-170.49.8111.4Q2 I74 F80Q2-R76 WeakPolarHBondContact CG-O 3.43Å; Q2-R76 PolarHBondContact NE2-O 3.39Å; I74-R76 PolarHBondContact O-N 3.05Å; R76-F80 WeakPolarHBondContact O-CB 3.49Å; R76-F80 PolarHBondContact O-N 3.23Å
77N93.8Very high94.4Very high81 Ų8168.6 Ų68.643%0.43336%0.357SS..Hα-helixtrans-76.4-37.2-176.8-55.2-46.8000110.8D75 F80 K81D75-N77 PolarHBondContact O-N 3.07Å; D75-N77 WeakPolarHBondContact OD2-CB 3.49Å; D75-N77 PolarHBondContact OD2-N 2.97Å; D75-N77 PolarHBondContact OD2-ND2 3.3Å; D75-N77 VanDerWaalsContact OD2-ND2 3.12Å; N77-F80 WeakPolarHBondContact O-CB 3.3Å; N77-F80 PolarHBondContact O-N 2.82Å; N77-K81 WeakPolarHBondContact O-CG 3.17Å; N77-K81 PolarHBondContact O-N 3.33Å
78E94.3Very high94.2Very high70 Ų7074.4 Ų74.433%0.32739%0.387SS..Hα-helixtrans-65-46.4172.2-67.6-58.3123.100111.1I74 D75 F80 K81 F82I74-E78 HydrophobicContact CG2-CB 4.06Å; D75-E78 HydrophobicContact CB-CB 4.38Å; D75-E78 HydrophobicContact CB-CG 4.24Å; D75-E78 PolarHBondContact O-N 3.47Å; E78-F80 VanDerWaalsContact C-N 3.27Å; E78-F80 PolarHBondContact O-N 3.18Å; E78-K81 PolarHBondContact O-N 3.32Å; E78-K81 VanDerWaalsContact O-N 3.13Å; E78-K81 IonicContact OE1-NZ 3.7Å; E78-K81 PolarHBondContact OE1-NZ 2.78Å; E78-F82 HydrophobicContact CB-CE1 4.5Å; E78-F82 HydrophobicContact CB-CE2 4.1Å; E78-F82 HydrophobicContact CB-CZ 3.92Å; E78-F82 WeakPolarHBondContact O-CD1 3.45Å; E78-F82 WeakPolarHBondContact O-CD2 3.43Å; E78-F82 WeakPolarHBondContact O-CG 3.27Å; E78-F82 PolarHBondContact O-N 3.39Å
79L95Very high94.2Very high1 Ų174.9 Ų74.91%0.00539%0.386CS..Hα-helixtrans-58.2-40174.1-177.163.1000112Q2 V28 A65 I74 D75 F82 L83Q2-L79 HydrophobicContact CB-CD2 4.25Å; Q2-L79 HydrophobicContact CG-CB 4.43Å; Q2-L79 HydrophobicContact CG-CD2 4.17Å; Q2-L79 HydrophobicContact CG-CG 4.29Å; V28-L79 HydrophobicContact CG2-CD1 4.12Å; A65-L79 HydrophobicContact CB-CD1 3.99Å; I74-L79 HydrophobicContact CG2-CB 4.36Å; D75-L79 WeakPolarHBondContact O-CB 3.35Å; D75-L79 PolarHBondContact O-N 3.29Å; L79-F82 PolarHBondContact O-N 3.44Å; L79-L83 HydrophobicContact CD1-CD1 3.95Å; L79-L83 HydrophobicContact CD1-CG 4.19Å; L79-L83 HydrophobicContact CG-CD1 4.07Å; L79-L83 WeakPolarHBondContact O-CG 3.42Å; L79-L83 PolarHBondContact O-N 2.98Å
80F95.3Very high94.4Very high66 Ų6668 Ų6829%0.28935%0.354SS..Hα-helixtrans-60.5-50.9173.7173.6-98.2000111.3Q2 R76 N77 E78 F82 L83 D84 I107Q2-F80 HydrophobicContact CG-CB 4.24Å; R76-F80 WeakPolarHBondContact O-CB 3.49Å; R76-F80 PolarHBondContact O-N 3.23Å; N77-F80 WeakPolarHBondContact O-CB 3.3Å; N77-F80 PolarHBondContact O-N 2.82Å; E78-F80 VanDerWaalsContact C-N 3.27Å; E78-F80 PolarHBondContact O-N 3.18Å; F80-F82 VanDerWaalsContact C-N 3.3Å; F80-F82 PolarHBondContact O-N 3.13Å; F80-L83 PolarHBondContact O-N 2.96Å; F80-D84 HydrophobicContact CD2-CB 4.41Å; F80-D84 HydrophobicContact CE1-CB 4.26Å; F80-D84 HydrophobicContact CE2-CB 4.07Å; F80-D84 HydrophobicContact CZ-CB 3.99Å; F80-D84 WeakPolarHBondContact O-CB 3.34Å; F80-D84 PolarHBondContact O-N 3.02Å; F80-I107 HydrophobicContact CD2-CB 4Å; F80-I107 HydrophobicContact CD2-CG2 3.78Å; F80-I107 HydrophobicContact CE2-CB 4.02Å; F80-I107 HydrophobicContact CE2-CG2 4.31Å; F80-I107 VanDerWaalsContact CE2-O 3.25Å; F80-I107 WeakPolarHBondContact CE2-O 3.12Å
81K94.5Very high94.5Very high119 Ų11965.5 Ų65.552%0.51734%0.338SS..Hα-helixtrans-58.2-40.4178.5-69.9170.6-170.61700112.6N77 E78 G85N77-K81 WeakPolarHBondContact O-CG 3.17Å; N77-K81 PolarHBondContact O-N 3.33Å; E78-K81 PolarHBondContact O-N 3.32Å; E78-K81 VanDerWaalsContact O-N 3.13Å; E78-K81 IonicContact OE1-NZ 3.7Å; E78-K81 PolarHBondContact OE1-NZ 2.78Å; K81-G85 WeakPolarHBondContact O-CA 3.29Å; K81-G85 PolarHBondContact O-N 3.48Å
82F94Very high94.5Very high25 Ų2565 Ų6511%0.1133%0.329CS..Hα-helixtrans-66.9-41.9-178-58.9-20.3000112.5Q31 I32 I74 E78 L79 F80Q31-F82 HydrophobicContact CB-CD1 4.03Å; Q31-F82 HydrophobicContact CB-CD2 4.1Å; Q31-F82 HydrophobicContact CB-CE1 4Å; Q31-F82 HydrophobicContact CB-CE2 4.06Å; Q31-F82 HydrophobicContact CB-CG 4.09Å; Q31-F82 HydrophobicContact CB-CZ 4.02Å; Q31-F82 HydrophobicContact CG-CB 4.17Å; Q31-F82 HydrophobicContact CG-CD1 3.68Å; Q31-F82 HydrophobicContact CG-CD2 4.26Å; Q31-F82 HydrophobicContact CG-CE1 4.11Å; Q31-F82 HydrophobicContact CG-CG 3.77Å; I32-F82 HydrophobicContact CD1-CE2 3.76Å; I32-F82 HydrophobicContact CD1-CZ 4.21Å; I32-F82 HydrophobicContact CG1-CE2 4.19Å; I32-F82 HydrophobicContact CG1-CZ 4.47Å; I74-F82 HydrophobicContact CG2-CE2 4.13Å; E78-F82 HydrophobicContact CB-CE1 4.5Å; E78-F82 HydrophobicContact CB-CE2 4.1Å; E78-F82 HydrophobicContact CB-CZ 3.92Å; E78-F82 WeakPolarHBondContact O-CD1 3.45Å; E78-F82 WeakPolarHBondContact O-CD2 3.43Å; E78-F82 WeakPolarHBondContact O-CG 3.27Å; E78-F82 PolarHBondContact O-N 3.39Å; L79-F82 PolarHBondContact O-N 3.44Å; F80-F82 VanDerWaalsContact C-N 3.3Å; F80-F82 PolarHBondContact O-N 3.13Å
83L95Very high94.6Very high3 Ų358.2 Ų58.22%0.01631%0.307CS..Hα-helixtrans-81.7-43.1-178.2-62.8177.2000111.8I4 L24 V28 V63 L79 F80 K86 L87 I90 I107I4-L83 HydrophobicContact CD1-CD1 4.13Å; I4-L83 HydrophobicContact CG1-CD1 4.5Å; L24-L83 HydrophobicContact CD2-CD2 3.85Å; V28-L83 HydrophobicContact CG2-CD2 4.05Å; V63-L83 HydrophobicContact CG2-CD1 4.49Å; L79-L83 HydrophobicContact CD1-CD1 3.95Å; L79-L83 HydrophobicContact CD1-CG 4.19Å; L79-L83 HydrophobicContact CG-CD1 4.07Å; L79-L83 WeakPolarHBondContact O-CG 3.42Å; L79-L83 PolarHBondContact O-N 2.98Å; F80-L83 PolarHBondContact O-N 2.96Å; L83-K86 CarbonylContact O-C 3.6Å; L83-K86 PolarHBondContact O-N 2.94Å; L83-L87 WeakPolarHBondContact O-CA 3.33Å; L83-L87 PolarHBondContact O-N 2.96Å; L83-I90 HydrophobicContact CD2-CD1 4.06Å; L83-I107 HydrophobicContact CB-CD1 3.25Å; L83-I107 HydrophobicContact CD1-CD1 4.31Å; L83-I107 HydrophobicContact CG-CD1 4.42Å
84D94.6Very high94.6Very high71 Ų7155.4 Ų55.438%0.3828%0.284SS..Hα-helixtrans-68.6-40.4-179.5-167.360.6000111.2F80 K86 L87 I107F80-D84 HydrophobicContact CD2-CB 4.41Å; F80-D84 HydrophobicContact CE1-CB 4.26Å; F80-D84 HydrophobicContact CE2-CB 4.07Å; F80-D84 HydrophobicContact CZ-CB 3.99Å; F80-D84 WeakPolarHBondContact O-CB 3.34Å; F80-D84 PolarHBondContact O-N 3.02Å; D84-K86 PolarHBondContact O-N 3.19Å; D84-L87 WeakPolarHBondContact O-CB 3.25Å; D84-L87 PolarHBondContact O-N 2.6Å; D84-I107 HydrophobicContact CB-CD1 4.44Å
85G93Very high94.5Very high66 Ų6660 Ų6068%0.6831%0.305SS*.THydrogen-bonded Turntrans-63.7-21.4175.500000114.4K81K81-G85 WeakPolarHBondContact O-CA 3.29Å; K81-G85 PolarHBondContact O-N 3.48Å
86K93.4Very high94.5Very high35 Ų3560.9 Ų60.915%0.15232%0.315CS..THydrogen-bonded Turntrans-116.917.2178.2-63.3-171.3-175.3167.40113.3Y27 E30 L83 D84 L88 D89 I90Y27-K86 HydrophobicContact CD1-CB 4.19Å; Y27-K86 HydrophobicContact CD1-CD 3.51Å; Y27-K86 HydrophobicContact CD1-CG 4.5Å; Y27-K86 HydrophobicContact CE1-CB 4.43Å; Y27-K86 HydrophobicContact CE1-CD 4.1Å; Y27-K86 HydrophobicContact CG-CD 4.47Å; E30-K86 IonicContact OE2-NZ 2.74Å; E30-K86 PolarHBondContact OE2-NZ 3.36Å; L83-K86 CarbonylContact O-C 3.6Å; L83-K86 PolarHBondContact O-N 2.94Å; D84-K86 PolarHBondContact O-N 3.19Å; K86-L88 PolarHBondContact O-N 3.22Å; K86-L88 VanDerWaalsContact O-N 3.16Å; K86-D89 PolarHBondContact O-N 3.49Å; K86-I90 HydrophobicContact CB-CD1 4.21Å; K86-I90 HydrophobicContact CB-CG1 4.44Å; K86-I90 WeakPolarHBondContact O-CG1 3.29Å; K86-I90 PolarHBondContact O-N 3.31Å
87L93.8Very high94.6Very high29 Ų2959.1 Ų59.115%0.15231%0.308CS..Hα-helixtrans-55.6-38.7-174-164.380.1000112.7L83 D84 N91 I104 I107L83-L87 WeakPolarHBondContact O-CA 3.33Å; L83-L87 PolarHBondContact O-N 2.96Å; D84-L87 WeakPolarHBondContact O-CB 3.25Å; D84-L87 PolarHBondContact O-N 2.6Å; L87-N91 VanDerWaalsContact O-CB 3.24Å; L87-N91 WeakPolarHBondContact O-CB 3.29Å; L87-N91 PolarHBondContact O-N 2.91Å; L87-N91 PolarHBondContact O-ND2 3.25Å; L87-N91 VanDerWaalsContact O-ND2 3.08Å; L87-I104 HydrophobicContact CD1-CB 4.06Å; L87-I104 HydrophobicContact CD1-CD1 4.4Å; L87-I104 HydrophobicContact CD1-CG2 3.68Å; L87-I107 HydrophobicContact CD1-CD1 3.84Å; L87-I107 HydrophobicContact CD1-CG1 3.98Å
88L93.7Very high94.7Very high135 Ų13555.8 Ų55.871%0.70729%0.29SS*.Hα-helixtrans-66.4-37.7179.8-69.2176.6000113K86 K92K86-L88 PolarHBondContact O-N 3.22Å; K86-L88 VanDerWaalsContact O-N 3.16Å; L88-K92 WeakPolarHBondContact O-CG 3.26Å; L88-K92 PolarHBondContact O-N 2.9Å
89D95.1Very high94.6Very high71 Ų7154 Ų5438%0.3829%0.29SS..Hα-helixtrans-79.2-40.9-179.8-64.4-38.1000110.6Y27 K86 N91 K92 D93Y27-D89 HydrophobicContact CE1-CB 4.08Å; Y27-D89 WeakPolarHBondContact OH-CB 3.34Å; Y27-D89 PolarHBondContact OH-O 3.28Å; K86-D89 PolarHBondContact O-N 3.49Å; D89-N91 PolarHBondContact O-N 3.32Å; D89-K92 WeakPolarHBondContact O-CB 3.43Å; D89-K92 PolarHBondContact O-N 2.75Å; D89-K92 IonicContact OD1-NZ 3.86Å; D89-K92 PolarHBondContact OD1-NZ 3.22Å; D89-D93 PolarHBondContact O-N 3.1Å; D89-D93 VanDerWaalsContact O-N 3.09Å
90I95.8Very high94.4Very high1 Ų163.4 Ų63.41%0.00533%0.334CS..Hα-helixtrans-55.9-42.8171.4-63.4164.5000110.4L24 Y27 L83 K86 K92 D93 F94 I104L24-I90 HydrophobicContact CD2-CG2 4.21Å; Y27-I90 HydrophobicContact CD1-CG1 4.27Å; Y27-I90 HydrophobicContact CD2-CB 4.48Å; Y27-I90 HydrophobicContact CD2-CD1 4.28Å; Y27-I90 HydrophobicContact CD2-CG1 3.42Å; Y27-I90 VanDerWaalsContact CD2-CG1 3.42Å; Y27-I90 HydrophobicContact CE1-CG1 4.32Å; Y27-I90 HydrophobicContact CE2-CB 4.19Å; Y27-I90 HydrophobicContact CE2-CG1 3.49Å; Y27-I90 VanDerWaalsContact CE2-CG1 3.49Å; Y27-I90 HydrophobicContact CG-CD1 4.33Å; Y27-I90 HydrophobicContact CG-CG1 3.81Å; Y27-I90 PolarHBondContact OH-N 3.05Å; L83-I90 HydrophobicContact CD2-CD1 4.06Å; K86-I90 HydrophobicContact CB-CD1 4.21Å; K86-I90 HydrophobicContact CB-CG1 4.44Å; K86-I90 WeakPolarHBondContact O-CG1 3.29Å; K86-I90 PolarHBondContact O-N 3.31Å; I90-K92 VanDerWaalsContact C-N 3.31Å; I90-K92 PolarHBondContact O-N 3.25Å; I90-D93 PolarHBondContact O-N 3.25Å; I90-F94 HydrophobicContact CG2-CD1 3.85Å; I90-F94 HydrophobicContact CG2-CD2 4.35Å; I90-F94 HydrophobicContact CG2-CE1 3.64Å; I90-F94 HydrophobicContact CG2-CE2 4.18Å; I90-F94 HydrophobicContact CG2-CG 4.23Å; I90-F94 HydrophobicContact CG2-CZ 3.82Å; I90-F94 WeakPolarHBondContact O-CB 3.38Å; I90-F94 VanDerWaalsContact O-CD1 3.31Å; I90-F94 WeakPolarHBondContact O-CD1 3.4Å; I90-F94 WeakPolarHBondContact O-CG 3.47Å; I90-F94 PolarHBondContact O-N 3.07Å; I90-I104 HydrophobicContact CB-CD1 4.48Å; I90-I104 HydrophobicContact CG2-CD1 3.57Å
91N95.5Very high94.1Very high24 Ų2463.2 Ų63.213%0.12835%0.351CS..Hα-helixtrans-62.3-33.5177.4-83.4-33.3000113.5L87 D89 Q95 I104L87-N91 VanDerWaalsContact O-CB 3.24Å; L87-N91 WeakPolarHBondContact O-CB 3.29Å; L87-N91 PolarHBondContact O-N 2.91Å; L87-N91 PolarHBondContact O-ND2 3.25Å; L87-N91 VanDerWaalsContact O-ND2 3.08Å; D89-N91 PolarHBondContact O-N 3.32Å; N91-Q95 PolarHBondContact O-N 2.93Å; N91-I104 PolarHBondContact ND2-O 3.2Å; N91-I104 WeakPolarHBondContact OD1-CB 3.38Å; N91-I104 WeakPolarHBondContact OD1-CG1 3.44Å; N91-I104 PolarHBondContact OD1-N 3.48Å
92K95.2Very high94.1Very high124 Ų12458 Ų5854%0.53933%0.331SS..Hα-helixtrans-68.2-43.9174.1-66.7167.8-167.41580110.8L88 D89 I90 F94 Q95L88-K92 WeakPolarHBondContact O-CG 3.26Å; L88-K92 PolarHBondContact O-N 2.9Å; D89-K92 WeakPolarHBondContact O-CB 3.43Å; D89-K92 PolarHBondContact O-N 2.75Å; D89-K92 IonicContact OD1-NZ 3.86Å; D89-K92 PolarHBondContact OD1-NZ 3.22Å; I90-K92 VanDerWaalsContact C-N 3.31Å; I90-K92 PolarHBondContact O-N 3.25Å; K92-F94 VanDerWaalsContact C-N 3.27Å; K92-F94 PolarHBondContact O-N 2.89Å; K92-Q95 VanDerWaalsContact O-CB 3.29Å; K92-Q95 WeakPolarHBondContact O-CB 3.31Å; K92-Q95 PolarHBondContact O-N 2.85Å
93D95.7Very high94.2Very high49 Ų4963.7 Ų63.726%0.26235%0.352SS..Hα-helixtrans-68.4-28.3178.9-74.4-4.5000112.2I23 R26 Y27 D89 I90 P96 Y97I23-D93 HydrophobicContact CD1-CB 4.22Å; I23-D93 HydrophobicContact CG2-CB 3.71Å; R26-D93 IonicContact CZ-OD2 2.63Å; R26-D93 IonicContact NH2-OD2 2.63Å; R26-D93 PolarHBondContact NH2-OD2 2.92Å; Y27-D93 WeakPolarHBondContact CE2-OD2 3.33Å; Y27-D93 PolarHBondContact OH-OD2 2.8Å; D89-D93 PolarHBondContact O-N 3.1Å; D89-D93 VanDerWaalsContact O-N 3.09Å; I90-D93 PolarHBondContact O-N 3.25Å; D93-P96 VanDerWaalsContact O-CD 3.31Å; D93-P96 WeakPolarHBondContact O-CD 3.44Å; D93-Y97 WeakPolarHBondContact O-CD2 3.41Å; D93-Y97 WeakPolarHBondContact O-CE2 3.44Å
94F95.8Very high94.2Very high0 Ų063.9 Ų63.90%035%0.353CS..Hα-helixtrans-79.3-18.4176.8-81.826.2000113.1L20 I23 L24 I90 K92 P96 Y97 Y98 I104L20-F94 HydrophobicContact CB-CE1 4.46Å; L20-F94 HydrophobicContact CB-CZ 4.19Å; L20-F94 HydrophobicContact CD2-CD1 3.75Å; L20-F94 HydrophobicContact CD2-CD2 3.85Å; L20-F94 HydrophobicContact CD2-CE1 3.77Å; L20-F94 HydrophobicContact CD2-CE2 3.87Å; L20-F94 HydrophobicContact CD2-CG 3.78Å; L20-F94 HydrophobicContact CD2-CZ 3.83Å; I23-F94 HydrophobicContact CB-CD1 4.45Å; I23-F94 HydrophobicContact CB-CE1 3.92Å; I23-F94 HydrophobicContact CD1-CD1 4.04Å; I23-F94 HydrophobicContact CD1-CE1 4.2Å; I23-F94 HydrophobicContact CG2-CD1 3.99Å; I23-F94 HydrophobicContact CG2-CE1 3.66Å; L24-F94 HydrophobicContact CD1-CZ 4.34Å; L24-F94 HydrophobicContact CD2-CE1 4.49Å; L24-F94 HydrophobicContact CD2-CZ 3.96Å; L24-F94 HydrophobicContact CG-CE1 4.44Å; L24-F94 HydrophobicContact CG-CZ 3.95Å; I90-F94 HydrophobicContact CG2-CD1 3.85Å; I90-F94 HydrophobicContact CG2-CD2 4.35Å; I90-F94 HydrophobicContact CG2-CE1 3.64Å; I90-F94 HydrophobicContact CG2-CE2 4.18Å; I90-F94 HydrophobicContact CG2-CG 4.23Å; I90-F94 HydrophobicContact CG2-CZ 3.82Å; I90-F94 WeakPolarHBondContact O-CB 3.38Å; I90-F94 VanDerWaalsContact O-CD1 3.31Å; I90-F94 WeakPolarHBondContact O-CD1 3.4Å; I90-F94 WeakPolarHBondContact O-CG 3.47Å; I90-F94 PolarHBondContact O-N 3.07Å; K92-F94 VanDerWaalsContact C-N 3.27Å; K92-F94 PolarHBondContact O-N 2.89Å; F94-P96 VanDerWaalsContact C-CD 3.48Å; F94-Y97 CarbonylContact O-C 3.53Å; F94-Y97 WeakPolarHBondContact O-CA 3.47Å; F94-Y97 WeakPolarHBondContact O-CB 3.39Å; F94-Y97 PolarHBondContact O-N 3.16Å; F94-Y98 HydrophobicContact CB-CD2 4.33Å; F94-Y98 HydrophobicContact CB-CE2 4.49Å; F94-Y98 HydrophobicContact CB-CG 4.48Å; F94-Y98 HydrophobicContact CD2-CD2 4.31Å; F94-Y98 HydrophobicContact CD2-CE1 4.07Å; F94-Y98 AromaticContact CD2-CE2 3.66Å; F94-Y98 HydrophobicContact CD2-CE2 3.66Å; F94-Y98 AromaticContact CD2-CZ 3.52Å; F94-Y98 HydrophobicContact CE2-CE2 4.42Å; F94-Y98 AromaticContact CE2-CZ 3.96Å; F94-Y98 PolarHBondContact O-N 3.08Å; F94-I104 HydrophobicContact CD2-CD1 3.86Å; F94-I104 HydrophobicContact CD2-CG1 3.97Å; F94-I104 HydrophobicContact CE2-CD1 3.68Å; F94-I104 HydrophobicContact CE2-CG1 4.09Å; F94-I104 HydrophobicContact CZ-CD1 4.41Å
95Q94Very high94.3Very high114 Ų11463.4 Ų63.453%0.53335%0.35SS..Hα-helixtrans-56.2-42.4-174.9-168.8177.5-4.100114.3N91 K92 Y97 G99N91-Q95 PolarHBondContact O-N 2.93Å; K92-Q95 VanDerWaalsContact O-CB 3.29Å; K92-Q95 WeakPolarHBondContact O-CB 3.31Å; K92-Q95 PolarHBondContact O-N 2.85Å; Q95-Y97 PolarHBondContact O-N 2.9Å; Q95-G99 PolarHBondContact O-N 3.1Å
96P94.7Very high94.3Very high96 Ų9664.3 Ų64.362%0.62334%0.337SS*.Hα-helixtrans-63.4-24.8174.3-20.333.9000113.2K16 D93 F94K16-P96 PolarHBondContact NZ-O 3.04Å; D93-P96 VanDerWaalsContact O-CD 3.31Å; D93-P96 WeakPolarHBondContact O-CD 3.44Å; F94-P96 VanDerWaalsContact C-CD 3.48Å
97Y95.3Very high94.4Very high61 Ų6163.3 Ų63.324%0.23933%0.333CS..Hα-helixtrans-89.2-46.7-177-59-82000111.4K16 D19 L20 I23 D93 F94 Q95K16-Y97 HydrophobicContact CB-CD1 4.3Å; K16-Y97 HydrophobicContact CD-CD1 3.95Å; K16-Y97 HydrophobicContact CD-CG 4.39Å; K16-Y97 VanDerWaalsContact CD-O 3.28Å; K16-Y97 WeakPolarHBondContact CD-O 3.43Å; K16-Y97 WeakPolarHBondContact CE-O 3.38Å; K16-Y97 HydrophobicContact CG-CD1 4.42Å; K16-Y97 PolarHBondContact NZ-O 3.05Å; D19-Y97 HydrophobicContact CB-CD1 3.9Å; D19-Y97 HydrophobicContact CB-CE1 3.27Å; D19-Y97 WeakPolarHBondContact OD2-CE1 3.46Å; L20-Y97 HydrophobicContact CD2-CD2 4.33Å; L20-Y97 HydrophobicContact CD2-CG 4.08Å; I23-Y97 HydrophobicContact CD1-CD2 3.95Å; I23-Y97 HydrophobicContact CD1-CE2 3.5Å; I23-Y97 VanDerWaalsContact CD1-CE2 3.5Å; D93-Y97 WeakPolarHBondContact O-CD2 3.41Å; D93-Y97 WeakPolarHBondContact O-CE2 3.44Å; F94-Y97 CarbonylContact O-C 3.53Å; F94-Y97 WeakPolarHBondContact O-CA 3.47Å; F94-Y97 WeakPolarHBondContact O-CB 3.39Å; F94-Y97 PolarHBondContact O-N 3.16Å; Q95-Y97 PolarHBondContact O-N 2.9Å
98Y95Very high94.4Very high11 Ų1163.3 Ų63.34%0.04333%0.331CS..Hα-helixtrans-81.8-23-176.9-73.23.6000113.9S6 V8 L12 V13 L20 F94 I104S6-Y98 WeakPolarHBondContact OG-CE2 3.47Å; S6-Y98 PolarHBondContact OG-OH 3.01Å; V8-Y98 HydrophobicContact CG1-CD2 4.17Å; V8-Y98 HydrophobicContact CG1-CG 3.99Å; V8-Y98 HydrophobicContact CG2-CD1 3.96Å; V8-Y98 HydrophobicContact CG2-CD2 4.03Å; V8-Y98 HydrophobicContact CG2-CE1 3.87Å; V8-Y98 HydrophobicContact CG2-CE2 3.94Å; V8-Y98 HydrophobicContact CG2-CG 4.04Å; L12-Y98 HydrophobicContact CD2-CD1 3.95Å; V13-Y98 HydrophobicContact CG2-CE1 4.14Å; L20-Y98 HydrophobicContact CD1-CE1 3.73Å; L20-Y98 HydrophobicContact CD2-CD1 4.43Å; L20-Y98 HydrophobicContact CD2-CE1 3.95Å; F94-Y98 HydrophobicContact CB-CD2 4.33Å; F94-Y98 HydrophobicContact CB-CE2 4.49Å; F94-Y98 HydrophobicContact CB-CG 4.48Å; F94-Y98 HydrophobicContact CD2-CD2 4.31Å; F94-Y98 HydrophobicContact CD2-CE1 4.07Å; F94-Y98 AromaticContact CD2-CE2 3.66Å; F94-Y98 HydrophobicContact CD2-CE2 3.66Å; F94-Y98 AromaticContact CD2-CZ 3.52Å; F94-Y98 HydrophobicContact CE2-CE2 4.42Å; F94-Y98 AromaticContact CE2-CZ 3.96Å; F94-Y98 PolarHBondContact O-N 3.08Å; Y98-I104 HydrophobicContact CE2-CG1 4.41Å
99G92.2Very high94.3Very high32 Ų3259 Ų5933%0.3331%0.311SS..  trans85.8-175.5-176.300000113Q95 G101 G102Q95-G99 PolarHBondContact O-N 3.1Å; G99-G101 PolarHBondContact O-N 2.98Å; G99-G102 PolarHBondContact O-N 3.01Å; G99-G102 VanDerWaalsContact O-N 3.13Å
100E90.5Very high94.1Very high199 Ų19956.7 Ų56.793%0.9330%0.299SS*.THydrogen-bonded Turntrans-62.6126.8-177-64.3-174.5176.200111.5G102E100-G102 PolarHBondContact O-N 3.07Å
101G89.8Confident93.4Very high63 Ų6360.2 Ų60.265%0.64932%0.315SS*.THydrogen-bonded Turntrans80.7-6.8-178.300000115N7 G99N7-G101 PolarHBondContact ND2-O 2.79Å; G99-G101 PolarHBondContact O-N 2.98Å
102G93.6Very high92.5Very high10 Ų1061.9 Ų61.910%0.10333%0.333CS..  trans-72.3123.2177.500000112.8N7 G99 E100N7-G102 VanDerWaalsContact OD1-CA 3.29Å; N7-G102 WeakPolarHBondContact OD1-CA 3.48Å; G99-G102 PolarHBondContact O-N 3.01Å; G99-G102 VanDerWaalsContact O-N 3.13Å; E100-G102 PolarHBondContact O-N 3.07Å
103R95.8Very high91.5Very high144 Ų14458 Ų5854%0.54332%0.32SS..  trans-153.8157.3178.662.9-178.6179.2-179.41.1112.3N7 L105N7-R103 PolarHBondContact N-O 2.82Å; N7-R103 VanDerWaalsContact N-O 3.09Å; N7-R103 PolarHBondContact OD1-N 3.23Å; N7-R103 PolarHBondContact OD1-O 3.14Å; R103-L105 HydrophobicContact CG-CD2 4.44Å
104I96.7Very high90.3Very high6 Ų658.8 Ų58.83%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-69.5126.9163-53.7170.6000107.7I4 V5 L87 I90 N91 F94 Y98 I107I4-I104 HydrophobicContact CG2-CB 4.35Å; I4-I104 HydrophobicContact CG2-CD1 3.87Å; I4-I104 HydrophobicContact CG2-CG1 3.9Å; I4-I104 HydrophobicContact CG2-CG2 3.54Å; V5-I104 CarbonylContact O-C 3.58Å; L87-I104 HydrophobicContact CD1-CB 4.06Å; L87-I104 HydrophobicContact CD1-CD1 4.4Å; L87-I104 HydrophobicContact CD1-CG2 3.68Å; I90-I104 HydrophobicContact CB-CD1 4.48Å; I90-I104 HydrophobicContact CG2-CD1 3.57Å; N91-I104 PolarHBondContact ND2-O 3.2Å; N91-I104 WeakPolarHBondContact OD1-CB 3.38Å; N91-I104 WeakPolarHBondContact OD1-CG1 3.44Å; N91-I104 PolarHBondContact OD1-N 3.48Å; F94-I104 HydrophobicContact CD2-CD1 3.86Å; F94-I104 HydrophobicContact CD2-CG1 3.97Å; F94-I104 HydrophobicContact CE2-CD1 3.68Å; F94-I104 HydrophobicContact CE2-CG1 4.09Å; F94-I104 HydrophobicContact CZ-CD1 4.41Å; Y98-I104 HydrophobicContact CE2-CG1 4.41Å; I104-I107 HydrophobicContact CG2-CG1 4.49Å
105L94.9Very high88.9Confident62 Ų6260.6 Ų60.633%0.32534%0.338SS..EExtended strand (participates in β ladder)trans-84.5-51.2179.4-64.5177000111.2V5 N7 K58 R103V5-L105 HydrophobicContact CG1-CD1 4.39Å; V5-L105 PolarHBondContact O-N 3.28Å; N7-L105 HydrophobicContact CB-CD1 4.06Å; N7-L105 HydrophobicContact CB-CD2 4.1Å; N7-L105 HydrophobicContact CB-CG 4.08Å; K58-L105 HydrophobicContact CD-CD1 4.11Å; R103-L105 HydrophobicContact CG-CD2 4.44Å
106E94.4Very high87.5Confident84 Ų8460.4 Ų60.439%0.39334%0.34SS..EExtended strand (participates in β ladder)trans-158.7157.6-174.562.5-170167.500110.1V5 R45V5-E106 HydrophobicContact CB-CG 3.79Å; V5-E106 WeakPolarHBondContact CB-O 3.41Å; V5-E106 HydrophobicContact CG1-CG 4.4Å; V5-E106 HydrophobicContact CG2-CG 3.77Å; V5-E106 PolarHBondContact N-O 3.37Å; R45-E106 IonicContact CZ-OE1 3.78Å; R45-E106 IonicContact NH2-OE1 2.65Å; R45-E106 PolarHBondContact NH2-OE1 3.12Å
107I95Very high86.2Confident15 Ų1564.8 Ų64.88%0.07735%0.349CS..EExtended strand (participates in β ladder)trans-111.6124.3169.2-55.6-178.6000106.8Q2 V3 F80 L83 D84 L87 I104Q2-I107 HydrophobicContact CB-CG2 4.01Å; Q2-I107 HydrophobicContact CG-CG2 4.44Å; V3-I107 CarbonylContact O-C 3.54Å; V3-I107 WeakPolarHBondContact O-CA 3.17Å; F80-I107 HydrophobicContact CD2-CB 4Å; F80-I107 HydrophobicContact CD2-CG2 3.78Å; F80-I107 HydrophobicContact CE2-CB 4.02Å; F80-I107 HydrophobicContact CE2-CG2 4.31Å; F80-I107 VanDerWaalsContact CE2-O 3.25Å; F80-I107 WeakPolarHBondContact CE2-O 3.12Å; L83-I107 HydrophobicContact CB-CD1 3.25Å; L83-I107 HydrophobicContact CD1-CD1 4.31Å; L83-I107 HydrophobicContact CG-CD1 4.42Å; D84-I107 HydrophobicContact CB-CD1 4.44Å; L87-I107 HydrophobicContact CD1-CD1 3.84Å; L87-I107 HydrophobicContact CD1-CG1 3.98Å; I104-I107 HydrophobicContact CG2-CG1 4.49Å
108R93.5Very high84.6Confident28 Ų2869.8 Ų69.811%0.10637%0.372CS..EExtended strand (participates in β ladder)trans-127.2152-175.770.2-175.2-173.393-3111.4Q2 V3 V5 Y51 D60Q2-R108 VanDerWaalsContact OE1-C 3.22Å; Q2-R108 PolarHBondContact OE1-O 3.36Å; V3-R108 WeakPolarHBondContact CA-O 3.48Å; V3-R108 HydrophobicContact CB-CG 3.82Å; V3-R108 WeakPolarHBondContact CB-O 3.32Å; V3-R108 HydrophobicContact CG1-CG 4.25Å; V3-R108 PolarHBondContact N-O 2.8Å; V3-R108 PolarHBondContact O-N 3.39Å; V5-R108 HydrophobicContact CG2-CG 3.94Å; Y51-R108 VanDerWaalsContact CD1-NH1 3.3Å; Y51-R108 VanDerWaalsContact CE1-CZ 3.42Å; D60-R108 IonicContact OD1-NE 2.8Å; D60-R108 IonicContact OD1-NH2 3.96Å; D60-R108 IonicContact OD2-CZ 2.77Å; D60-R108 IonicContact OD2-NE 2.92Å; D60-R108 IonicContact OD2-NH2 2.6Å; D60-R108 PolarHBondContact OD2-NH2 3.5Å
109T92.4Very high82.9Confident46 Ų4678 Ų7828%0.28240%0.403SS..  trans-73.7139172.7-60.10000109.6V113T109-V113 HydrophobicContact CG2-CB 3.81Å; T109-V113 HydrophobicContact CG2-CG1 3.86Å; T109-V113 HydrophobicContact CG2-CG2 4Å
110P89.7Confident81.3Confident21 Ų2179 Ų7914%0.13641%0.413CS..  trans-61147.4-178.319.7-31000113.3M1 V3 A112 V113M1-P110 HydrophobicContact CB-CG 4.21Å; M1-P110 WeakPolarHBondContact O-CD 3.37Å; V3-P110 HydrophobicContact CG2-CB 3.86Å; P110-A112 VanDerWaalsContact C-N 3.29Å; P110-A112 PolarHBondContact O-N 3.3Å; P110-V113 HydrophobicContact CG-CG2 3.99Å; P110-V113 WeakPolarHBondContact O-CB 3.21Å; P110-V113 PolarHBondContact O-N 3.02Å
111E80.7Confident79.9Confident75 Ų7578.7 Ų78.735%0.3541%0.411SS..Hα-helixtrans-54.1-42.4-175.6-177.5-162.4153.900112.9A50 Y51 V113 T114 S115A50-E111 VanDerWaalsContact O-OE1 3.13Å; Y51-E111 WeakPolarHBondContact CB-OE2 3.42Å; Y51-E111 HydrophobicContact CD2-CB 4.05Å; Y51-E111 HydrophobicContact CD2-CG 3.84Å; Y51-E111 HydrophobicContact CG-CB 4.41Å; Y51-E111 HydrophobicContact CG-CG 4.36Å; E111-V113 PolarHBondContact O-N 2.93Å; E111-T114 WeakPolarHBondContact O-CA 3.32Å; E111-T114 PolarHBondContact O-N 2.81Å; E111-T114 PolarHBondContact O-OG1 3.19Å; E111-S115 PolarHBondContact O-N 3.02Å
112A77.4Confident78.7Confident60 Ų6080.8 Ų80.850%0.49642%0.416SS..Hα-helixtrans-54.3-30.7-178.800000112.7P110 S115 I116P110-A112 VanDerWaalsContact C-N 3.29Å; P110-A112 PolarHBondContact O-N 3.3Å; A112-S115 WeakPolarHBondContact CA-OG 3.48Å; A112-S115 PolarHBondContact O-OG 2.94Å; A112-S115 VanDerWaalsContact O-OG 3.1Å; A112-I116 VanDerWaalsContact O-CD1 3.3Å; A112-I116 WeakPolarHBondContact O-CD1 3.13Å; A112-I116 WeakPolarHBondContact O-CG1 3.39Å; A112-I116 PolarHBondContact O-N 3.36Å
113V74.1Confident77.7Confident43 Ų4386 Ų8626%0.26144%0.441SS..Hα-helixtrans-70.6-39.5176.8176.90000111.1T109 P110 E111 I116 K117T109-V113 HydrophobicContact CG2-CB 3.81Å; T109-V113 HydrophobicContact CG2-CG1 3.86Å; T109-V113 HydrophobicContact CG2-CG2 4Å; P110-V113 HydrophobicContact CG-CG2 3.99Å; P110-V113 WeakPolarHBondContact O-CB 3.21Å; P110-V113 PolarHBondContact O-N 3.02Å; E111-V113 PolarHBondContact O-N 2.93Å; V113-I116 PolarHBondContact O-N 2.9Å; V113-K117 PolarHBondContact O-N 3Å
114T70.8Confident77.1Confident65 Ų6580.6 Ų80.640%0.39943%0.43SS..Hα-helixtrans-71.3-33.4178.5700000111.7E111 K117 K118E111-T114 WeakPolarHBondContact O-CA 3.32Å; E111-T114 PolarHBondContact O-N 2.81Å; E111-T114 PolarHBondContact O-OG1 3.19Å; T114-K117 PolarHBondContact O-N 2.88Å; T114-K118 PolarHBondContact O-N 3.5Å
115S66.3Low76.7Confident37 Ų3791.1 Ų91.126%0.25947%0.471SS..Hα-helixtrans-76.8-26.7175.565.80000112.7E111 A112 K117 K118 R119E111-S115 PolarHBondContact O-N 3.02Å; A112-S115 WeakPolarHBondContact CA-OG 3.48Å; A112-S115 PolarHBondContact O-OG 2.94Å; A112-S115 VanDerWaalsContact O-OG 3.1Å; S115-K117 VanDerWaalsContact C-N 3.3Å; S115-K117 PolarHBondContact O-N 2.98Å; S115-K118 CarbonylContact O-C 3.45Å; S115-K118 WeakPolarHBondContact O-CA 3.44Å; S115-K118 WeakPolarHBondContact O-CB 3.49Å; S115-K118 PolarHBondContact O-N 3.18Å; S115-R119 PolarHBondContact O-N 2.76Å
116I65Low76.4Confident111 Ų11193.8 Ų93.857%0.56949%0.49SS*.Hα-helixtrans-62.2-39.3169.5-70.3159.9000110.7A112 V113 K118 R119 G120A112-I116 VanDerWaalsContact O-CD1 3.3Å; A112-I116 WeakPolarHBondContact O-CD1 3.13Å; A112-I116 WeakPolarHBondContact O-CG1 3.39Å; A112-I116 PolarHBondContact O-N 3.36Å; V113-I116 PolarHBondContact O-N 2.9Å; I116-K118 PolarHBondContact O-N 3.08Å; I116-R119 PolarHBondContact O-N 3.47Å; I116-G120 PolarHBondContact O-N 2.91Å
117K66.8Low76.1Confident187 Ų18794.1 Ų94.181%0.81349%0.492SS*.Hα-helixtrans-60.2-33.9172.5-171.4174.6179.8178.30111.7V113 T114 S115 R119 G120V113-K117 PolarHBondContact O-N 3Å; T114-K117 PolarHBondContact O-N 2.88Å; S115-K117 VanDerWaalsContact C-N 3.3Å; S115-K117 PolarHBondContact O-N 2.98Å; K117-R119 VanDerWaalsContact C-N 3.3Å; K117-R119 PolarHBondContact O-N 3.43Å; K117-G120 PolarHBondContact O-N 2.75Å
118K61.9Low75.9Confident166 Ų16695 Ų9572%0.72250%0.504SS*.Hα-helixtrans-73.2-18.1174.1-62.6-178.3178.4-179.70113.9T114 S115 I116T114-K118 PolarHBondContact O-N 3.5Å; S115-K118 CarbonylContact O-C 3.45Å; S115-K118 WeakPolarHBondContact O-CA 3.44Å; S115-K118 WeakPolarHBondContact O-CB 3.49Å; S115-K118 PolarHBondContact O-N 3.18Å; I116-K118 PolarHBondContact O-N 3.08Å
119R58.8Low76Confident185 Ų18596.4 Ų96.470%0.69852%0.522SS*.THydrogen-bonded Turntrans-88-5176-70.4-173.3-172.1-159.22.2113.6S115 I116 K117 E121S115-R119 PolarHBondContact O-N 2.76Å; I116-R119 PolarHBondContact O-N 3.47Å; K117-R119 VanDerWaalsContact C-N 3.3Å; K117-R119 PolarHBondContact O-N 3.43Å; R119-E121 PolarHBondContact O-N 3.16Å
120G59.1Low76.1Confident51 Ų51100.3 Ų100.353%0.52654%0.54SS..SBendtrans-57.1110.3166.500000107.5I116 K117 S122I116-G120 PolarHBondContact O-N 2.91Å; K117-G120 PolarHBondContact O-N 2.75Å; G120-S122 VanDerWaalsContact C-N 3.31Å; G120-S122 PolarHBondContact O-N 3.35Å
121E60.6Low76.3Confident193 Ų193104.2 Ų104.290%0.90256%0.56SS**  trans-57.693.8-175.2-66.3168.1161.600108.6R119 L123R119-E121 PolarHBondContact O-N 3.16Å; E121-L123 PolarHBondContact O-N 3.02Å
122S65Low77Confident107 Ų107103 Ų10375%0.74856%0.563SS**  trans-65.9126.1167.153.40000106.9G120 G124G120-S122 VanDerWaalsContact C-N 3.31Å; G120-S122 PolarHBondContact O-N 3.35Å; S122-G124 PolarHBondContact O-N 3.37Å
123L73.6Confident77.9Confident119 Ų119105 Ų10562%0.62356%0.564SS**  trans-44.6116.8174.1-57170000108.5E121 E127E121-L123 PolarHBondContact O-N 3.02Å; L123-E127 WeakPolarHBondContact CA-OE2 3.15Å; L123-E127 HydrophobicContact CD2-CG 4.45Å; L123-E127 VanDerWaalsContact CD2-OE1 3.23Å; L123-E127 WeakPolarHBondContact CD2-OE1 3.46Å; L123-E127 WeakPolarHBondContact CD2-OE2 3.29Å
124G82.3Confident78.9Confident31 Ų31105.1 Ų105.132%0.3257%0.57SS.*  trans-67.1158.5-175.300000111.1S122 T126 E127 G128S122-G124 PolarHBondContact O-N 3.37Å; G124-T126 PolarHBondContact O-N 3.09Å; G124-T126 VanDerWaalsContact O-N 3.11Å; G124-E127 WeakPolarHBondContact O-CB 3.37Å; G124-E127 PolarHBondContact O-N 2.76Å; G124-G128 PolarHBondContact O-N 2.88Å
125Y87.6Confident80.1Confident227 Ų227108.3 Ų108.389%0.8958%0.579SS**Hα-helixtrans-56.7-29.2174.1-65.1-73.9000112.8G128 A129Y125-G128 PolarHBondContact O-N 2.66Å; Y125-A129 WeakPolarHBondContact O-CB 3.33Å; Y125-A129 PolarHBondContact O-N 3.3Å
126T89.2Confident81.6Confident118 Ų118111.8 Ų111.872%0.72459%0.593SS**Hα-helixtrans-67.7-40.617550.10000112.3G124 A129 L130G124-T126 PolarHBondContact O-N 3.09Å; G124-T126 VanDerWaalsContact O-N 3.11Å; T126-A129 PolarHBondContact O-N 2.86Å; T126-L130 PolarHBondContact O-N 2.8Å
127E89Confident83.1Confident92 Ų92110.9 Ų110.943%0.4359%0.589SS.*Hα-helixtrans-68.4-43.1173.5-174.6174.7-172.200110.9L123 G124 A129 L130 L131L123-E127 WeakPolarHBondContact CA-OE2 3.15Å; L123-E127 HydrophobicContact CD2-CG 4.45Å; L123-E127 VanDerWaalsContact CD2-OE1 3.23Å; L123-E127 WeakPolarHBondContact CD2-OE1 3.46Å; L123-E127 WeakPolarHBondContact CD2-OE2 3.29Å; G124-E127 WeakPolarHBondContact O-CB 3.37Å; G124-E127 PolarHBondContact O-N 2.76Å; E127-A129 VanDerWaalsContact C-N 3.27Å; E127-A129 PolarHBondContact O-N 3.47Å; E127-L130 PolarHBondContact O-N 3.21Å; E127-L130 VanDerWaalsContact O-N 3.16Å; E127-L131 PolarHBondContact O-N 3.33Å
128G90.8Very high84.5Confident33 Ų33106.5 Ų106.534%0.3457%0.573SS.*Hα-helixtrans-57.5-3717200000113.1G124 Y125 L131 A132G124-G128 PolarHBondContact O-N 2.88Å; Y125-G128 PolarHBondContact O-N 2.66Å; G128-L131 PolarHBondContact O-N 3.21Å; G128-A132 VanDerWaalsContact O-CB 3.3Å; G128-A132 WeakPolarHBondContact O-CB 3.36Å; G128-A132 PolarHBondContact O-N 2.92Å
129A94.4Very high86.1Confident58 Ų58103 Ų10348%0.47956%0.562SS.*Hα-helixtrans-67.4-39176.400000112.6Y125 T126 E127 A132 L133Y125-A129 WeakPolarHBondContact O-CB 3.33Å; Y125-A129 PolarHBondContact O-N 3.3Å; T126-A129 PolarHBondContact O-N 2.86Å; E127-A129 VanDerWaalsContact C-N 3.27Å; E127-A129 PolarHBondContact O-N 3.47Å; A129-A132 PolarHBondContact O-N 2.65Å; A129-L133 WeakPolarHBondContact O-CB 3.41Å; A129-L133 PolarHBondContact O-N 3.27Å
130L94.2Very high87.9Confident127 Ų12798.4 Ų98.467%0.66556%0.557SS**Hα-helixtrans-66.6-42.1174.2-66.9177000111.4T126 E127 L133 A134T126-L130 PolarHBondContact O-N 2.8Å; E127-L130 PolarHBondContact O-N 3.21Å; E127-L130 VanDerWaalsContact O-N 3.16Å; L130-L133 PolarHBondContact O-N 3.26Å; L130-A134 PolarHBondContact O-N 3.01Å
131L94.3Very high89.6Confident103 Ų10398.7 Ų98.754%0.53955%0.55SS.*Hα-helixtrans-62.3-43.2174-71.9176.2000111.8E127 G128 L133 A134 F135E127-L131 PolarHBondContact O-N 3.33Å; G128-L131 PolarHBondContact O-N 3.21Å; L131-L133 PolarHBondContact O-N 3.21Å; L131-A134 PolarHBondContact O-N 2.87Å; L131-F135 PolarHBondContact O-N 3.18Å
132A95.3Very high91.2Very high50 Ų5093.9 Ų93.941%0.41353%0.53SS..Hα-helixtrans-61.5-43.8175.700000111.6G128 A129 F135 I136G128-A132 VanDerWaalsContact O-CB 3.3Å; G128-A132 WeakPolarHBondContact O-CB 3.36Å; G128-A132 PolarHBondContact O-N 2.92Å; A129-A132 PolarHBondContact O-N 2.65Å; A132-F135 PolarHBondContact O-N 3.03Å; A132-I136 VanDerWaalsContact O-CG1 3.26Å; A132-I136 WeakPolarHBondContact O-CG1 3.38Å; A132-I136 PolarHBondContact O-N 3.06Å
133L95.9Very high92.6Very high102 Ų10292 Ų9253%0.53452%0.515SS..Hα-helixtrans-63.1-42.3176.6-174.8143.7000111.8A129 L130 L131 F135 I136 I137A129-L133 WeakPolarHBondContact O-CB 3.41Å; A129-L133 PolarHBondContact O-N 3.27Å; L130-L133 PolarHBondContact O-N 3.26Å; L131-L133 PolarHBondContact O-N 3.21Å; L133-F135 VanDerWaalsContact C-N 3.34Å; L133-F135 PolarHBondContact O-N 3.4Å; L133-I136 PolarHBondContact O-N 2.86Å; L133-I137 HydrophobicContact CD2-CD1 3.63Å; L133-I137 HydrophobicContact CD2-CG1 4.48Å; L133-I137 WeakPolarHBondContact O-CG1 3.29Å; L133-I137 PolarHBondContact O-N 3.37Å
134A96.1Very high93.6Very high46 Ų4688.8 Ų88.838%0.3851%0.506SS..Hα-helixtrans-60.3-43.5174.700000111.7L130 L131 I137 I138L130-A134 PolarHBondContact O-N 3.01Å; L131-A134 PolarHBondContact O-N 2.87Å; A134-I137 PolarHBondContact O-N 3.29Å; A134-I138 WeakPolarHBondContact O-CG1 3.31Å; A134-I138 PolarHBondContact O-N 3.45Å; A134-I138 VanDerWaalsContact O-N 3.12Å
135F96.6Very high94.2Very high131 Ų13192.5 Ų92.558%0.57552%0.517SS*.Hα-helixtrans-65.4-40178-162.9-109.1000112.4L131 A132 L133 I137 I138 L139L131-F135 PolarHBondContact O-N 3.18Å; A132-F135 PolarHBondContact O-N 3.03Å; L133-F135 VanDerWaalsContact C-N 3.34Å; L133-F135 PolarHBondContact O-N 3.4Å; F135-I137 PolarHBondContact O-N 3.12Å; F135-I138 PolarHBondContact O-N 2.85Å; F135-L139 HydrophobicContact CD1-CD1 3.55Å; F135-L139 HydrophobicContact CD1-CG 4.08Å; F135-L139 HydrophobicContact CE1-CD1 3.42Å; F135-L139 VanDerWaalsContact CE1-CD1 3.42Å; F135-L139 HydrophobicContact CE1-CD2 4.4Å; F135-L139 HydrophobicContact CE1-CG 3.94Å; F135-L139 HydrophobicContact CZ-CD1 4.29Å; F135-L139 HydrophobicContact CZ-CG 4.38Å; F135-L139 WeakPolarHBondContact O-CB 3.29Å; F135-L139 WeakPolarHBondContact O-CG 3.41Å; F135-L139 PolarHBondContact O-N 2.8Å
136I97Very high94.4Very high110 Ų11086.7 Ų86.756%0.56450%0.501SS*.Hα-helixtrans-61-43.7175.2-70.6164.5000111.3A132 L133 L139 C140A132-I136 VanDerWaalsContact O-CG1 3.26Å; A132-I136 WeakPolarHBondContact O-CG1 3.38Å; A132-I136 PolarHBondContact O-N 3.06Å; L133-I136 PolarHBondContact O-N 2.86Å; I136-L139 PolarHBondContact O-N 3.46Å; I136-C140 WeakPolarHBondContact O-CB 3.31Å; I136-C140 PolarHBondContact O-N 2.81Å
137I96.8Very high94.6Very high93 Ų9385.5 Ų85.548%0.47749%0.493SS..Hα-helixtrans-61.1-48.5177.4-67.7169000110.1L133 A134 F135 L139 C140 C141L133-I137 HydrophobicContact CD2-CD1 3.63Å; L133-I137 HydrophobicContact CD2-CG1 4.48Å; L133-I137 WeakPolarHBondContact O-CG1 3.29Å; L133-I137 PolarHBondContact O-N 3.37Å; A134-I137 PolarHBondContact O-N 3.29Å; F135-I137 PolarHBondContact O-N 3.12Å; I137-L139 PolarHBondContact O-N 2.77Å; I137-C140 PolarHBondContact O-N 2.84Å; I137-C141 WeakPolarHBondContact O-CB 3.4Å; I137-C141 PolarHBondContact O-N 3.18Å; I137-C141 PolarHBondContact O-SG 3.3Å
138I95.9Very high94.7Very high95 Ų9584.9 Ų84.949%0.48750%0.496SS..Hα-helixtrans-60-46.7178.9-66.4167.3000110.7A134 F135 C140 C141 I142A134-I138 WeakPolarHBondContact O-CG1 3.31Å; A134-I138 PolarHBondContact O-N 3.45Å; A134-I138 VanDerWaalsContact O-N 3.12Å; F135-I138 PolarHBondContact O-N 2.85Å; I138-C140 VanDerWaalsContact C-N 3.28Å; I138-C140 PolarHBondContact O-N 3.01Å; I138-C141 PolarHBondContact O-N 2.69Å; I138-I142 HydrophobicContact CG2-CD1 3.87Å; I138-I142 HydrophobicContact CG2-CG1 4.42Å; I138-I142 WeakPolarHBondContact O-CG1 3.39Å; I138-I142 PolarHBondContact O-N 2.63Å
139L96.5Very high94.8Very high93 Ų9387.8 Ų87.849%0.48750%0.503SS..Hα-helixtrans-62.1-32.5177.6-79.3178.2000113.3F135 I136 I137 P143F135-L139 HydrophobicContact CD1-CD1 3.55Å; F135-L139 HydrophobicContact CD1-CG 4.08Å; F135-L139 HydrophobicContact CE1-CD1 3.42Å; F135-L139 VanDerWaalsContact CE1-CD1 3.42Å; F135-L139 HydrophobicContact CE1-CD2 4.4Å; F135-L139 HydrophobicContact CE1-CG 3.94Å; F135-L139 HydrophobicContact CZ-CD1 4.29Å; F135-L139 HydrophobicContact CZ-CG 4.38Å; F135-L139 WeakPolarHBondContact O-CB 3.29Å; F135-L139 WeakPolarHBondContact O-CG 3.41Å; F135-L139 PolarHBondContact O-N 2.8Å; I136-L139 PolarHBondContact O-N 3.46Å; I137-L139 PolarHBondContact O-N 2.77Å; L139-P143 WeakPolarHBondContact O-CD 3.31Å; L139-P143 WeakPolarHBondContact O-CG 3.41Å
140C95.5Very high94.6Very high88 Ų8888.4 Ų88.460%0.59550%0.501SS*.Hα-helixtrans-77.3-37.7175.1-170.70000111.8I136 I137 I138 P143 A144I136-C140 WeakPolarHBondContact O-CB 3.31Å; I136-C140 PolarHBondContact O-N 2.81Å; I137-C140 PolarHBondContact O-N 2.84Å; I138-C140 VanDerWaalsContact C-N 3.28Å; I138-C140 PolarHBondContact O-N 3.01Å; C140-P143 WeakPolarHBondContact O-CD 3.42Å; C140-A144 WeakPolarHBondContact O-CB 3.32Å; C140-A144 PolarHBondContact O-N 2.77Å
141C95.8Very high94.3Very high57 Ų5785.6 Ų85.639%0.38549%0.491SS..Hα-helixtrans-68.2-36.8-180-73.20000112.9I137 I138 A144 I145I137-C141 WeakPolarHBondContact O-CB 3.4Å; I137-C141 PolarHBondContact O-N 3.18Å; I137-C141 PolarHBondContact O-SG 3.3Å; I138-C141 PolarHBondContact O-N 2.69Å; C141-A144 PolarHBondContact O-N 2.76Å; C141-I145 HydrophobicContact CB-CD1 4.46Å; C141-I145 WeakPolarHBondContact O-CB 3.47Å; C141-I145 WeakPolarHBondContact O-CD1 3.49Å; C141-I145 WeakPolarHBondContact O-CG1 3.38Å; C141-I145 PolarHBondContact O-N 3.13Å
142I94.4Very high93.9Very high91 Ų9189.4 Ų89.447%0.46750%0.5SS..Hα-helixtrans-59.2-54.5-178.7-68.4162.6000111.5I138 A144 I145 L146I138-I142 HydrophobicContact CG2-CD1 3.87Å; I138-I142 HydrophobicContact CG2-CG1 4.42Å; I138-I142 WeakPolarHBondContact O-CG1 3.39Å; I138-I142 PolarHBondContact O-N 2.63Å; I142-A144 PolarHBondContact O-N 3.35Å; I142-I145 PolarHBondContact O-N 2.79Å; I142-L146 HydrophobicContact CG2-CD1 4.28Å; I142-L146 WeakPolarHBondContact O-CG 3.42Å; I142-L146 PolarHBondContact O-N 3.09Å
143P94Very high93.4Very high68 Ų6896.4 Ų96.444%0.44252%0.516SS..Hα-helixtrans-60.8-40.4174.4-23.433.4000113.3L139 C140 I145 L146 V147L139-P143 WeakPolarHBondContact O-CD 3.31Å; L139-P143 WeakPolarHBondContact O-CG 3.41Å; C140-P143 WeakPolarHBondContact O-CD 3.42Å; P143-I145 VanDerWaalsContact C-N 3.35Å; P143-I145 PolarHBondContact O-N 3.17Å; P143-L146 PolarHBondContact O-N 3.25Å; P143-V147 WeakPolarHBondContact O-CG2 3.5Å; P143-V147 PolarHBondContact O-N 2.93Å
144A94.4Very high92.3Very high52 Ų5299 Ų9943%0.4353%0.525SS..Hα-helixtrans-60.4-44.5178.900000111.7C140 C141 I142 V147 V148C140-A144 WeakPolarHBondContact O-CB 3.32Å; C140-A144 PolarHBondContact O-N 2.77Å; C141-A144 PolarHBondContact O-N 2.76Å; I142-A144 PolarHBondContact O-N 3.35Å; A144-V147 PolarHBondContact O-N 3.01Å; A144-V148 WeakPolarHBondContact O-CG2 3.28Å; A144-V148 PolarHBondContact O-N 3.35Å
145I94.1Very high90.8Very high109 Ų109100 Ų10056%0.55954%0.54SS*.Hα-helixtrans-63.3-41.9175.3-67.1164.5000110.7C141 I142 P143 V147 V148 L149C141-I145 HydrophobicContact CB-CD1 4.46Å; C141-I145 WeakPolarHBondContact O-CB 3.47Å; C141-I145 WeakPolarHBondContact O-CD1 3.49Å; C141-I145 WeakPolarHBondContact O-CG1 3.38Å; C141-I145 PolarHBondContact O-N 3.13Å; I142-I145 PolarHBondContact O-N 2.79Å; P143-I145 VanDerWaalsContact C-N 3.35Å; P143-I145 PolarHBondContact O-N 3.17Å; I145-V147 PolarHBondContact O-N 3.18Å; I145-V148 PolarHBondContact O-N 3.33Å; I145-L149 VanDerWaalsContact O-CB 3.32Å; I145-L149 WeakPolarHBondContact O-CB 3.47Å; I145-L149 PolarHBondContact O-N 2.98Å
146L93.2Very high88.6Confident105 Ų10596.6 Ų96.655%0.5554%0.541SS..Hα-helixtrans-61.7-42.9176.4-70.3175.3000112.1I142 P143 L149 V150I142-L146 HydrophobicContact CG2-CD1 4.28Å; I142-L146 WeakPolarHBondContact O-CG 3.42Å; I142-L146 PolarHBondContact O-N 3.09Å; P143-L146 PolarHBondContact O-N 3.25Å; L146-L149 PolarHBondContact O-N 3.14Å; L146-V150 WeakPolarHBondContact O-CG2 3.14Å; L146-V150 PolarHBondContact O-N 2.81Å
147V91.7Very high86.1Confident92 Ų92100.4 Ų100.456%0.55855%0.554SS**Hα-helixtrans-64.6-42.3177.1170.90000111.6P143 A144 I145 L149 V150 S151P143-V147 WeakPolarHBondContact O-CG2 3.5Å; P143-V147 PolarHBondContact O-N 2.93Å; A144-V147 PolarHBondContact O-N 3.01Å; I145-V147 PolarHBondContact O-N 3.18Å; V147-L149 VanDerWaalsContact C-N 3.35Å; V147-V150 PolarHBondContact O-N 3.04Å; V147-S151 WeakPolarHBondContact O-CB 3.36Å; V147-S151 PolarHBondContact O-N 3.27Å; V147-S151 PolarHBondContact O-OG 2.63Å
148V93Very high83.8Confident80 Ų8099.9 Ų99.949%0.48556%0.563SS.*Hα-helixtrans-62.1-45.1174.7171.60000110A144 I145 V150 S151 Y152A144-V148 WeakPolarHBondContact O-CG2 3.28Å; A144-V148 PolarHBondContact O-N 3.35Å; I145-V148 PolarHBondContact O-N 3.33Å; V148-V150 PolarHBondContact O-N 3.17Å; V148-S151 PolarHBondContact O-N 2.8Å; V148-Y152 HydrophobicContact CG1-CD2 3.67Å; V148-Y152 HydrophobicContact CG1-CE2 3.77Å; V148-Y152 WeakPolarHBondContact O-CD2 3.33Å; V148-Y152 PolarHBondContact O-N 2.67Å
149L91Very high81.1Confident94 Ų94100.8 Ų100.849%0.49258%0.576SS.*Hα-helixtrans-63.9-41.4179.5-168.3140.5000112.3I145 L146 V147 R153I145-L149 VanDerWaalsContact O-CB 3.32Å; I145-L149 WeakPolarHBondContact O-CB 3.47Å; I145-L149 PolarHBondContact O-N 2.98Å; L146-L149 PolarHBondContact O-N 3.14Å; V147-L149 VanDerWaalsContact C-N 3.35Å; L149-R153 WeakPolarHBondContact O-CG 3.28Å; L149-R153 PolarHBondContact O-N 3.26Å
150V91.2Very high78.5Confident71 Ų71102.5 Ų102.543%0.4358%0.581SS.*Hα-helixtrans-65.4-43174172.30000111.1L146 V147 V148 Y152 R153 Q154L146-V150 WeakPolarHBondContact O-CG2 3.14Å; L146-V150 PolarHBondContact O-N 2.81Å; V147-V150 PolarHBondContact O-N 3.04Å; V148-V150 PolarHBondContact O-N 3.17Å; V150-Y152 PolarHBondContact O-N 3.24Å; V150-R153 PolarHBondContact O-N 2.85Å; V150-R153 VanDerWaalsContact O-N 3.14Å; V150-Q154 HydrophobicContact CG1-CG 4.34Å; V150-Q154 WeakPolarHBondContact O-CG 3.43Å; V150-Q154 PolarHBondContact O-N 2.84Å
151S88.2Confident75.7Confident67 Ų67107.8 Ų107.847%0.46960%0.596SS.*Hα-helixtrans-60.8-43.7176.6-610000112.1V147 V148 R153 Q154 G155V147-S151 WeakPolarHBondContact O-CB 3.36Å; V147-S151 PolarHBondContact O-N 3.27Å; V147-S151 PolarHBondContact O-OG 2.63Å; V148-S151 PolarHBondContact O-N 2.8Å; S151-R153 VanDerWaalsContact C-N 3.32Å; S151-R153 PolarHBondContact O-N 2.9Å; S151-Q154 PolarHBondContact O-N 2.87Å; S151-G155 PolarHBondContact O-N 2.86Å
152Y86.2Confident72.9Confident183 Ų183111.2 Ų111.272%0.71861%0.607SS**Hα-helixtrans-64.3-35174-93.4-83.3000112.5V148 V150 G156V148-Y152 HydrophobicContact CG1-CD2 3.67Å; V148-Y152 HydrophobicContact CG1-CE2 3.77Å; V148-Y152 WeakPolarHBondContact O-CD2 3.33Å; V148-Y152 PolarHBondContact O-N 2.67Å; V150-Y152 PolarHBondContact O-N 3.24Å; Y152-G156 VanDerWaalsContact O-CA 3.32Å; Y152-G156 WeakPolarHBondContact O-CA 3.49Å; Y152-G156 PolarHBondContact O-N 3.32Å
153R85Confident70.1Confident198 Ų198114.4 Ų114.475%0.74762%0.624SS**Hα-helixtrans-72.2-33.6175.3-72.4-171.579.61175.6113.2L149 V150 S151L149-R153 WeakPolarHBondContact O-CG 3.28Å; L149-R153 PolarHBondContact O-N 3.26Å; V150-R153 PolarHBondContact O-N 2.85Å; V150-R153 VanDerWaalsContact O-N 3.14Å; S151-R153 VanDerWaalsContact C-N 3.32Å; S151-R153 PolarHBondContact O-N 2.9Å
154Q72.1Confident67.9Low157 Ų157119.2 Ų119.273%0.73465%0.645SS**Hα-helixtrans-78.3-35.7176.9-70.4-179.313.400112.2V150 S151V150-Q154 HydrophobicContact CG1-CG 4.34Å; V150-Q154 WeakPolarHBondContact O-CG 3.43Å; V150-Q154 PolarHBondContact O-N 2.84Å; S151-Q154 PolarHBondContact O-N 2.87Å
155G63.4Low65.4Low67 Ų67127.7 Ų127.769%0.69167%0.666SS**Hα-helixtrans-90.2-6.5177.900000115.6S151S151-G155 PolarHBondContact O-N 2.86Å
156G52.4Low62.8Low58 Ų58128.8 Ų128.860%0.59868%0.68SS**SBendtrans-94.57.6-174.400000116.1Y152Y152-G156 VanDerWaalsContact O-CA 3.32Å; Y152-G156 WeakPolarHBondContact O-CA 3.49Å; Y152-G156 PolarHBondContact O-N 3.32Å
157F43.8Very low60.4Low191 Ų191129 Ų12984%0.83869%0.691SS**  trans-109.272.5173-103-91.8000110.5
158A47.5Very low57.7Low81 Ų81132.3 Ų132.367%0.66970%0.704SS**  trans-141.988.6156.200000109.1E160A158-E160 PolarHBondContact O-N 3.42Å
159P39.1Very low55.4Low115 Ų115136.5 Ų136.575%0.74772%0.723SS**  trans-85.784164.934.3-25000107.4
160E42Very low52.8Low128 Ų128141.3 Ų141.360%0.59874%0.74SS**  trans-121.685.1173.7-81.9-112.2110.600110.4A158 Q162A158-E160 PolarHBondContact O-N 3.42Å; E160-Q162 PolarHBondContact O-N 2.87Å; E160-Q162 VanDerWaalsContact O-N 3.1Å; E160-Q162 WeakPolarHBondContact OE1-CB 3.48Å; E160-Q162 VanDerWaalsContact OE1-CD 3.29Å; E160-Q162 PolarHBondContact OE1-NE2 3.02Å
161H37Very low50.3Low199 Ų199143.7 Ų143.792%0.92176%0.757SS**  trans-64.885136.3-89.9-102.1000107.5
162Q37.5Very low47.9Very low129 Ų129148.5 Ų148.560%0.60377%0.772SS**  trans-163.2106.3166.3-108.5164.69700105.8E160E160-Q162 PolarHBondContact O-N 2.87Å; E160-Q162 VanDerWaalsContact O-N 3.1Å; E160-Q162 WeakPolarHBondContact OE1-CB 3.48Å; E160-Q162 VanDerWaalsContact OE1-CD 3.29Å; E160-Q162 PolarHBondContact OE1-NE2 3.02Å
163L36.5Very low45.7Very low159 Ų159148.7 Ų148.783%0.83278%0.78SS**  33.6101.2100.4-79.4167.6000110.8
164L46.1Very low43.5Very low169 Ų169146.7 Ų146.789%0.88578%0.783SS**  trans153.2122137.3-75.5159.3000111.2
165R42Very low42.1Very low230 Ų230144.7 Ų144.787%0.86879%0.786SS**  trans-48.8145-178.7-65.9178.7168.1167.8-4115.2S167R165-S167 PolarHBondContact O-N 3.07Å
166P40.9Very low41.3Very low132 Ų132150 Ų15086%0.85780%0.795SS**  trans-81106.8149.8-3.722.6000109.5
167S41.6Very low40.8Very low110 Ų110155.8 Ų155.877%0.76981%0.807SS**  trans2.3119.6153.2-54.20000118.8R165 L169R165-S167 PolarHBondContact O-N 3.07Å; S167-L169 PolarHBondContact O-N 3.45Å
168L36.1Very low40.7Very low160 Ų160151.9 Ų151.984%0.83880%0.803SS**  trans-34.3117.7154.3-75.4170000114.1
169L43.6Very low40.3Very low168 Ų168151 Ų15188%0.8880%0.801SS**  trans-127.2114.3145.5-75175.5000107.7S167S167-L169 PolarHBondContact O-N 3.45Å
170K37Very low40.4Very low196 Ų196153.8 Ų153.885%0.85281%0.808SS**  trans-55.6141.3-177.9-70.7166.8171170.50112
171P38.6Very low40.5Very low121 Ų121154.6 Ų154.679%0.78682%0.817SS**  -114.9133119.4-6.926000111.3E173P171-E173 PolarHBondContact O-N 3.4Å
172E36.9Very low40.7Very low168 Ų168150.7 Ų150.779%0.78581%0.809SS**  trans-62.5101.2175.6-175.8177.6146.900110.6L174E172-L174 PolarHBondContact O-N 3.44Å
173E40.7Very low40.8Very low187 Ų187147.7 Ų147.787%0.87481%0.813SS**  trans-87.6101.2166.6-67.5-141.4150.300109.6P171 S175P171-E173 PolarHBondContact O-N 3.4Å; E173-S175 PolarHBondContact O-N 3.28Å
174L39.5Very low41Very low155 Ų155148.5 Ų148.581%0.81281%0.812SS**  trans-68.4100.1157.1-70.7166.1000108E172E172-L174 PolarHBondContact O-N 3.44Å
175S42.4Very low40.5Very low116 Ų116146.3 Ų146.381%0.81180%0.798SS**  trans-14797.7155.3-145.40000110.1E173E173-S175 PolarHBondContact O-N 3.28Å
176M45.7Very low40.3Very low179 Ų179144.9 Ų144.988%0.88279%0.794SS**  trans-73.5137.1169.8-95.7176.1173.500110.3
177E43.6Very low40.3Very low179 Ų179141.8 Ų141.884%0.83679%0.786SS**  trans78.9135.7133.8-155.473.6-162.800119.5
178S41.1Very low40.3Very low109 Ų109145.8 Ų145.876%0.76279%0.792SS**  trans88102.3166-154.80000114.3
179G37.7Very low40.2Very low61 Ų61145.7 Ų145.763%0.62979%0.793SS**  cis106.7134.733.100000108.7
180I42Very low40Very low175 Ų175147.8 Ų147.890%0.89779%0.79SS**  trans89.9131176.6-48.3148.1000113.1
181D43.6Very low40.3Very low144 Ų144148 Ų14877%0.7779%0.787SS**  cis-173.7143.4-16.8178.943.3000104.1
182P40.8Very low40.2Very low117 Ų117147.5 Ų147.576%0.7679%0.787SS**  trans-98.4133.2-171.132.7-20.4000112.1
183G40.6Very low40.6Very low67 Ų67149.3 Ų149.369%0.69179%0.788SS**  trans177.5121170.800000116.3
184Q41.3Very low40.7Very low175 Ų175147.9 Ų147.982%0.81878%0.781SS**  trans69.3147.6149.9-58.9-163.2-24.500117.8
185E34.2Very low40.9Very low123 Ų123149.3 Ų149.358%0.57578%0.783SS**  cis-176.2168.7-13.4-106.2-178138.100104.1
186Y38.7Very low40.8Very low200 Ų200146.9 Ų146.978%0.78478%0.776SS**  trans7798.4158.7-66.9-71.5000119.8
187G40.3Very low40.6Very low67 Ų67150 Ų15069%0.69178%0.78SS**  96.4118.1106.400000117.4
188Q41.1Very low40.5Very low194 Ų194150.1 Ų150.191%0.90778%0.781SS**  170.1103.7118.6-92.2177.525.900110.5
189D33.9Very low41Very low159 Ų159153.6 Ų153.685%0.8579%0.787SS**  trans-86.3116.4156.5-62.9-47000107.5
190Y40.6Very low41.7Very low211 Ų211155.2 Ų155.283%0.82779%0.786SS**  trans-165.6138.2159.1-110.6-80.9000111.2
191Y43.9Very low41.6Very low201 Ų201156.1 Ų156.179%0.78879%0.787SS**  trans99.975.8172.1-64.1-79.4000118.7
192S36.6Very low41.4Very low110 Ų110160.8 Ų160.877%0.76980%0.795SS**  trans-73.1133.2139.9-177.10000109.9
193Y44.7Very low41.6Very low206 Ų206158.4 Ų158.481%0.80879%0.792SS**  trans-147.6124.8151-122.7-86000109.5
194E43Very low41.4Very low158 Ų158160.8 Ų160.874%0.73880%0.798SS**  trans-52160.6-178.8-58.2177.4117.400114.5
195H43.5Very low41.4Very low185 Ų185164 Ų16486%0.85680%0.802SS**  -165.1110.1115.2-98.243.5000108.9
196G39.7Very low41.6Very low64 Ų64169.4 Ų169.466%0.6682%0.818SS**  trans-85.5148.1179.400000113.2
197Y42.7Very low42Very low246 Ų246171.1 Ų171.197%0.96582%0.823SS**  trans-150108144.6-94-78.9000107.7
198E40.2Very low42.2Very low181 Ų181176 Ų17685%0.84683%0.832SS**  trans-97135.1172-177.5176.8-173.800108.5
199M51.8Low42.3Very low182 Ų182174.8 Ų174.890%0.89783%0.831SS**  trans-139.6129.9160.2-171.365.510700109.2
200P53.3Low43Very low95 Ų95172.1 Ų172.162%0.61782%0.822SS**  trans-100159.4-153.336.4-31.5000115.5
201Q40Very low43.3Very low194 Ų194167.7 Ų167.791%0.90782%0.819SS**  trans-68.9134.4173.6-66.6-173-6.200113.1
202Y39.6Very low42.9Very low241 Ų241163.1 Ų163.195%0.94582%0.823SS**  trans-135.9131.6158.2-118.9-93.8000105.7
203G43.3Very low43.2Very low67 Ų67161.4 Ų161.469%0.69182%0.823SS**  cis148.497.915.100000106.3
204S37.8Very low43.2Very low117 Ų117161.3 Ų161.382%0.81883%0.83SS**  trans-70132.4179.3-164.50000111.4
205R40.1Very low43.1Very low242 Ų242162.6 Ų162.691%0.91384%0.836SS**  trans172.7117.5136.9-96.8167.5-177.7-133.31.4115.2
206R39.6Very low43.3Very low238 Ų238163.2 Ų163.290%0.89884%0.839SS**  trans5.8136.3140.1-68.4179.5169.1-170-4119.3
207R45.7Very low43.4Very low236 Ų236171.2 Ų171.289%0.89185%0.851SS**  trans136.7126.6146.3-83.6178.6-176.8-161.91.7108.7
208L45.6Very low43.7Very low169 Ų169163 Ų16389%0.88584%0.842SS**  cis-162.6166.322.2-82.6144000110
209L42.7Very low43.7Very low169 Ų169163.2 Ų163.289%0.88584%0.843SS**  trans-81.3174-172.3-87.6158.7000116.2
210P49.2Very low43.3Very low103 Ų103160.9 Ų160.967%0.66984%0.839SS**  trans-103.5-159.7-158.846.1-37.2000113.6
211P45.5Very low42.7Very low117 Ų117163.5 Ų163.576%0.7685%0.846SS**  -162177.372.841.3-17.2000119.8
212A35.6Very low42.9Very low106 Ų106157.4 Ų157.488%0.87684%0.835SS**  trans65.7126.6145.400000123
213G42.7Very low43Very low74 Ų74154.8 Ų154.876%0.76383%0.831SS**  trans-173.281.3169.200000115.3
214Q44.9Very low43.2Very low204 Ų204155.6 Ų155.695%0.95383%0.832SS**  trans64.9129.8144.2-62.8-174.3-60.600123.4
215E41.5Very low43.8Very low185 Ų185158.5 Ų158.586%0.86483%0.832SS**  trans-74.9138.6174.8-61.8149.2-170.300112.1
216E47.2Very low44.3Very low197 Ų197155.6 Ų155.692%0.92183%0.829SS**  trans-141.8124.3150.5-167.2168.7-175.500109.3
217Y42.8Very low44.6Very low232 Ų232152.2 Ų152.291%0.9182%0.823SS**  trans-94.4141.7-176.9-111.1-102.3000109.9
218G48.1Very low44.8Very low75 Ų75149.7 Ų149.777%0.77382%0.815SS**  trans143.2136.8165.300000111.1
219E40.8Very low45.2Very low184 Ų184148.5 Ų148.586%0.8681%0.805SS**  cis-165.6148.92.6179.4173.1167.700105.7
220V42.7Very low45.7Very low134 Ų134147.8 Ų147.881%0.81280%0.797SS**  trans-83.1122.8-174.2177.50000110
221I40.8Very low46.2Very low150 Ų150147.8 Ų147.877%0.76979%0.788SS**  trans-138.5110.8148.9-62.5-176.1000107.5
222G44.5Very low46.7Very low66 Ų66147.1 Ų147.168%0.6878%0.775SS**  trans-94.1131.6170.700000109.7
223E41.2Very low47.7Very low186 Ų186150.8 Ų150.887%0.86977%0.766SS**  trans-165.282.8167-101.2173.2-147.400105.4
224A48.6Very low48.7Very low84 Ų84150.7 Ų150.769%0.69476%0.759SS**  trans-151.54.2178.900000115.2
225E50.8Low49.5Very low178 Ų178149.1 Ų149.183%0.83274%0.744SS**SBendtrans-109.9-7.8-174.4-71.4-17015500115
226E50.3Low50.5Low180 Ų180147.6 Ų147.684%0.84173%0.734SS**SBendtrans-92.2-19.8-177.5-73.4-171.516200115.3Y228E226-Y228 PolarHBondContact O-N 2.66Å
227E45.1Very low51.1Low167 Ų167147.6 Ų147.678%0.7873%0.726SS**Hα-helixtrans-78.9-20-177.3-161.9171.5-173.900113.2
228Y51.1Low51.5Low183 Ų183144.7 Ų144.772%0.71872%0.723SS**Hα-helixtrans-79.5-25.6179.2-81.5-82000113.8E226E226-Y228 PolarHBondContact O-N 2.66Å
229E52.8Low51.7Low144 Ų144148.9 Ų148.967%0.67373%0.726SS**Hα-helixtrans-79.5-29.9179-69.2-161.6157.600112.8W233E229-W233 VanDerWaalsContact O-CD1 3.26Å; E229-W233 PolarHBondContact O-N 2.86Å
230E54.6Low51.7Low155 Ų155148.7 Ų148.772%0.72472%0.722SS**Hα-helixtrans-73.2-30.6178.5-160.5168.4-164.100112.1W233 A234E230-W233 PolarHBondContact O-N 3.34Å; E230-A234 PolarHBondContact O-N 2.65Å
231E57.9Low51.7Low102 Ų102150 Ų15048%0.47772%0.724SS.*Hα-helixtrans-74.6-31176.6-160.6170.9179.200113.1R235E231-R235 WeakPolarHBondContact O-CG 3.21Å; E231-R235 PolarHBondContact O-N 3Å; E231-R235 IonicContact OE1-CZ 3.97Å; E231-R235 IonicContact OE1-NE 3.98Å; E231-R235 IonicContact OE1-NH2 3.91Å; E231-R235 PolarHBondContact OE1-NH2 2.91Å
232E56.7Low51.7Low104 Ų104147.5 Ų147.549%0.48672%0.715SS.*Hα-helixtrans-67.2-37170.8-104.7-85.3125.400111.8R235 K236E232-R235 PolarHBondContact O-N 2.89Å; E232-K236 PolarHBondContact O-N 3.03Å; E232-K236 IonicContact OE2-NZ 2.78Å; E232-K236 PolarHBondContact OE2-NZ 2.55Å
233W57.4Low51.4Low182 Ų182150.1 Ų150.169%0.68972%0.718SS**Hα-helixtrans-71.7-31179.1-85.956.2000113.4E229 E230E229-W233 VanDerWaalsContact O-CD1 3.26Å; E229-W233 PolarHBondContact O-N 2.86Å; E230-W233 PolarHBondContact O-N 3.34Å
234A62.9Low51.4Low73 Ų73148.2 Ų148.260%0.60371%0.713SS**Hα-helixtrans-72.5-34.8175.500000112.5E230E230-A234 PolarHBondContact O-N 2.65Å
235R62.7Low50.9Low170 Ų170153.7 Ų153.764%0.64272%0.716SS**Hα-helixtrans-74.9-29.2179.2-66.6177.1-168.4-158.45.8113E231 E232 R237E231-R235 WeakPolarHBondContact O-CG 3.21Å; E231-R235 PolarHBondContact O-N 3Å; E231-R235 IonicContact OE1-CZ 3.97Å; E231-R235 IonicContact OE1-NE 3.98Å; E231-R235 IonicContact OE1-NH2 3.91Å; E231-R235 PolarHBondContact OE1-NH2 2.91Å; E232-R235 PolarHBondContact O-N 2.89Å; R235-R237 PolarHBondContact O-N 2.95Å
236K62Low50.3Low153 Ų153151.5 Ų151.567%0.66571%0.706SS**THydrogen-bonded Turntrans-76.1-11.1178.1-95.9167178.6145.60115.6E232E232-K236 PolarHBondContact O-N 3.03Å; E232-K236 IonicContact OE2-NZ 2.78Å; E232-K236 PolarHBondContact OE2-NZ 2.55Å
237R60.4Low49.6Very low198 Ų198153.2 Ų153.275%0.74771%0.706SS**THydrogen-bonded Turntrans-97.5-0.3-179.9-72.3-158.2-124.4175.12.4116R235R235-R237 PolarHBondContact O-N 2.95Å
238M49.7Very low49Very low171 Ų171153.8 Ų153.884%0.84271%0.709SS**SBendtrans-95.210.9-176.4-156.2163.665.600114.6
239I53Low48.2Very low163 Ų163150.3 Ų150.384%0.83671%0.711SS**  trans-133.281175.4-62.7173.2000108.5
240K41.2Very low47.4Very low180 Ų180149.3 Ų149.378%0.78372%0.72SS**  trans-143.472.6159.8-165.9176.2-179.9179.30108.1V242K240-V242 HydrophobicContact CG-CG2 4.23Å; K240-V242 PolarHBondContact O-N 3.49Å
241L43.1Very low46.7Very low161 Ų161147.2 Ų147.284%0.84372%0.722SS**  trans-71.8100.9164-119151.8000106.6V243L241-V243 PolarHBondContact O-N 2.6Å
242V39.5Very low46Very low98 Ų98148.2 Ų148.259%0.59474%0.738SS**  trans-74101.9167.7172.90000106.5K240K240-V242 HydrophobicContact CG-CG2 4.23Å; K240-V242 PolarHBondContact O-N 3.49Å
243V39.3Very low45.4Very low121 Ų121146.3 Ų146.373%0.73375%0.746SS**  trans-84.4107.7163.9168.40000106.4L241L241-V243 PolarHBondContact O-N 2.6Å
244D39.9Very low44.8Very low145 Ų145146.6 Ų146.678%0.77576%0.755SS**  trans-124.588.4163.9-94.8-28.9000109.2
245R38.6Very low43.9Very low199 Ų199150.2 Ų150.275%0.75177%0.765SS**  22.6133.7126.8-129.2179.4138.9162.4-12.5120.2
246E37.7Very low42.9Very low133 Ų133146.6 Ų146.662%0.62177%0.765SS**  trans78.2129.6154.9-37.2-173.6-179.500114.5
247Y35.3Very low41.7Very low215 Ų215144 Ų14484%0.84377%0.772SS**  cis-168.9162.826.841.8-91.3000109.4
248E33.1Very low41Very low180 Ų180140.3 Ų140.384%0.84177%0.774SS**  trans-59.2147.3-172-60160.9120.300116.7
249S34.5Very low40.3Very low110 Ų110141.3 Ų141.377%0.76978%0.777SS**  171.5106.7117.758.80000112.9
250S35.5Very low39.4Very low122 Ų122138.7 Ų138.785%0.85377%0.773SS**  32.9146122.7-52.40000120.1
251S39.7Very low39.2Very low111 Ų111140 Ų14078%0.77678%0.782SS**  cis175.7-170.8-0.7-150.80000106.3
252P43Very low38.7Very low124 Ų124143.1 Ų143.181%0.80578%0.782SS**  -131.1-166.4-120.634.7-8.5000114.8
253G45.1Very low38.3Very low64 Ų64142.6 Ų142.666%0.6678%0.783SS**  trans141147.5163.200000111.9
254E44Very low38.1Very low188 Ų188148.3 Ų148.388%0.87979%0.791SS**  cis-179.2154.5-7.633.4-167.260.100106.9
255D44.8Very low37.8Very low149 Ų149147.2 Ų147.280%0.79779%0.79SS**  trans126.9118.4139.5-146.718000120.8
256S41.4Very low37.7Very low94 Ų94147 Ų14766%0.65780%0.798SS**  trans77.785144.7-75.30000124.9
257A37.1Very low37.5Very low98 Ų98150.2 Ų150.281%0.8181%0.809SS**  47.8163102.700000123.7
258P44.9Very low37.8Very low121 Ų121145.8 Ų145.879%0.78681%0.807SS**  -131.7-167.4-123.432.6-7.1000114.6
259E35.6Very low37.7Very low192 Ų192143 Ų14390%0.89781%0.807SS**  trans153.9140.3132-165.2159.7171.700115.3
260S34Very low37.6Very low108 Ų108140.9 Ų140.976%0.75580%0.803SS**  trans-107.3150.5-172.846.30000112.7
261Q38Very low37.4Very low207 Ų207146.9 Ų146.997%0.96781%0.807SS**  trans-132.7152.8166.3-129.3-176.912.100114
262R32.6Very low37.3Very low226 Ų226145.8 Ų145.885%0.85380%0.8SS**  trans-120.7150.1-141.1-178.6-167.9174.8169.30.5111.3
263S31.1Very low37.3Very low88 Ų88147.1 Ų147.162%0.61580%0.8SS**  trans64128.9148.259.60000121.7
264R33.6Very low37.7Very low240 Ų240146.8 Ų146.891%0.90679%0.785SS**  -177.514996.6-97.7179.4-167.5177.94.4113.1
265T34.4Very low37.8Very low123 Ų123145.2 Ų145.276%0.75578%0.783SS**  trans-66.9146.5-175.646.40000116
266H37.2Very low38.7Very low195 Ų195138.8 Ų138.890%0.90375%0.751SS**  trans-148.8122.4146.5-92.7-80.2000111.4
267K33.5Very low39.9Very low199 Ų199138.4 Ų138.487%0.86574%0.742SS**  trans-81.5152.4154.7-88-178.9175.81770108
268P40.1Very low42.1Very low122 Ų122138.3 Ų138.379%0.79273%0.727SS**  -144.3160.2105.830.9-11.9000115.8
269S31.6Very low43.8Very low121 Ų121138.7 Ų138.785%0.84671%0.713SS**  trans-42.2139.1167.349.70000115.8
270G33.2Very low46.1Very low67 Ų67135.8 Ų135.869%0.69170%0.703SS**  trans178.996.6168.100000111.5S272G270-S272 PolarHBondContact O-N 2.68Å
271R31.1Very low48.5Very low247 Ų247132.9 Ų132.993%0.93269%0.685SS**  trans-64.396.6178.4-173.8178.5169.5-169.1-2.4109.2
272S37.9Very low50.4Low89 Ų89133.3 Ų133.362%0.62269%0.687SS**  trans-108.8120.9172.357.20000110G270 V274G270-S272 PolarHBondContact O-N 2.68Å; S272-V274 VanDerWaalsContact C-N 3.26Å; S272-V274 PolarHBondContact O-N 3.25Å; S272-V274 WeakPolarHBondContact OG-CG2 3.43Å
273N42.8Very low52.8Low151 Ų151127.6 Ų127.681%0.80767%0.673SS**  trans-73.482.9172.8-67.2-17.6000108.1N275N273-N275 PolarHBondContact O-N 3Å
274V52.5Low55.2Low57 Ų57126 Ų12635%0.34567%0.671SS.*  trans-82.7103178.9-175.50000108.8S272 G276S272-V274 VanDerWaalsContact C-N 3.26Å; S272-V274 PolarHBondContact O-N 3.25Å; S272-V274 WeakPolarHBondContact OG-CG2 3.43Å; V274-G276 PolarHBondContact O-N 2.75Å
275N46.6Very low57.2Low156 Ų156117.3 Ų117.383%0.83465%0.647SS**  trans-62.2104165.9-90-3.3000108.5N273N273-N275 PolarHBondContact O-N 3Å
276G64.1Low59.6Low13 Ų13116.3 Ų116.313%0.13464%0.641CS.*  trans-107.1135.1173.900000109.7V274 T289V274-G276 PolarHBondContact O-N 2.75Å; G276-T289 WeakPolarHBondContact CA-O 3.02Å
277N66.7Low61.6Low87 Ų87111.2 Ų111.247%0.46562%0.623SS.*  trans-68.6137.9173.7-63.30.5000108.9Y279 T289N277-Y279 HydrophobicContact CB-CE2 3.8Å; N277-T289 PolarHBondContact O-N 3.47Å; N277-T289 PolarHBondContact O-OG1 3.1Å
278I81.9Confident63.8Low95 Ų95108.4 Ų108.449%0.48761%0.607SS.*EExtended strand (participates in β ladder)trans-101.6125.7176.1-57.3173.6000106.6V286 R288I278-V286 HydrophobicContact CG2-CG1 3.44Å; I278-V286 VanDerWaalsContact CG2-CG1 3.44Å; I278-R288 HydrophobicContact CG1-CG 4.48Å
279Y81Confident65.1Low129 Ų129105.6 Ų105.651%0.50659%0.588SS.*EExtended strand (participates in β ladder)trans-112.3136.5172.9-62.3-81.4000109.4N277 V286 V287 T289N277-Y279 HydrophobicContact CB-CE2 3.8Å; Y279-V286 WeakPolarHBondContact O-CA 3.29Å; Y279-V287 PolarHBondContact N-O 3.41Å; Y279-V287 PolarHBondContact O-N 3.03Å; Y279-T289 HydrophobicContact CE2-CG2 4.48Å; Y279-T289 WeakPolarHBondContact CE2-OG1 3.46Å
280I85.3Confident66.8Low131 Ų131109.7 Ų109.767%0.67258%0.584SS**EExtended strand (participates in β ladder)trans-110.9115.4176.5-54.1175.7000106.5V286I280-V286 HydrophobicContact CG1-CG2 4.42Å
281A82.7Confident67.8Low47 Ų47116 Ų11639%0.38859%0.587SS.*  trans-78.5156.5174.900000110.6N283 G284 S285A281-N283 WeakPolarHBondContact CB-OD1 3.33Å; A281-N283 PolarHBondContact O-N 3.32Å; A281-N283 VanDerWaalsContact O-N 3.07Å; A281-G284 PolarHBondContact O-N 3.21Å; A281-S285 PolarHBondContact N-O 3.2Å
282Q79.1Confident68.8Low217 Ų217108.7 Ų108.7100%1.01458%0.58SS**THydrogen-bonded Turntrans-60.3-19.5-177.9-71.9178.2-24.800114G284Q282-G284 VanDerWaalsContact C-N 3.27Å; Q282-G284 PolarHBondContact O-N 3.46Å
283N82.7Confident69.1Low105 Ų105110.7 Ų110.756%0.56159%0.593SS**THydrogen-bonded Turntrans-87.414.8173.669-14.5000113.3A281 S285A281-N283 WeakPolarHBondContact CB-OD1 3.33Å; A281-N283 PolarHBondContact O-N 3.32Å; A281-N283 VanDerWaalsContact O-N 3.07Å; N283-S285 VanDerWaalsContact C-N 3.26Å; N283-S285 PolarHBondContact ND2-OG 3.06Å; N283-S285 PolarHBondContact O-N 2.88Å; N283-S285 VanDerWaalsContact OD1-CB 3.27Å; N283-S285 WeakPolarHBondContact OD1-CB 3.25Å; N283-S285 PolarHBondContact OD1-N 3.21Å; N283-S285 VanDerWaalsContact OD1-N 3.14Å; N283-S285 PolarHBondContact OD1-OG 3.41Å
284G80.6Confident69.2Low55 Ų55109.7 Ų109.757%0.56759%0.592SS**SBendtrans763.2-178.900000115.3A281 Q282A281-G284 PolarHBondContact O-N 3.21Å; Q282-G284 VanDerWaalsContact C-N 3.27Å; Q282-G284 PolarHBondContact O-N 3.46Å
285S77.2Confident68.5Low58 Ų58110.6 Ų110.641%0.40661%0.605SS.*  trans-76.3128.3179.3-64.40000111.7A281 N283A281-S285 PolarHBondContact N-O 3.2Å; N283-S285 VanDerWaalsContact C-N 3.26Å; N283-S285 PolarHBondContact ND2-OG 3.06Å; N283-S285 PolarHBondContact O-N 2.88Å; N283-S285 VanDerWaalsContact OD1-CB 3.27Å; N283-S285 WeakPolarHBondContact OD1-CB 3.25Å; N283-S285 PolarHBondContact OD1-N 3.21Å; N283-S285 VanDerWaalsContact OD1-N 3.14Å; N283-S285 PolarHBondContact OD1-OG 3.41Å
286V84.1Confident68.1Low101 Ų101110.6 Ų110.661%0.61261%0.605SS**EExtended strand (participates in β ladder)trans-101.3114.8179.8-175.90000109.8I278 Y279 I280I278-V286 HydrophobicContact CG2-CG1 3.44Å; I278-V286 VanDerWaalsContact CG2-CG1 3.44Å; Y279-V286 WeakPolarHBondContact O-CA 3.29Å; I280-V286 HydrophobicContact CG1-CG2 4.42Å
287V78.7Confident66.6Low88 Ų88116.9 Ų116.953%0.53364%0.636SS.*EExtended strand (participates in β ladder)trans-111.3120.5178.8-176.10000110Y279Y279-V287 PolarHBondContact N-O 3.41Å; Y279-V287 PolarHBondContact O-N 3.03Å
288R80.3Confident65.4Low140 Ų140120.8 Ų120.853%0.52866%0.656SS.*EExtended strand (participates in β ladder)trans-98.6106.9176.9-171.4179.5-175.797.21.7110.2I278I278-R288 HydrophobicContact CG1-CG 4.48Å
289T67.4Low63.1Low63 Ų63126.2 Ų126.239%0.38768%0.676SS.*PPolyproline II helixtrans-75.9129.3173.426.70000111.5G276 N277 Y279G276-T289 WeakPolarHBondContact CA-O 3.02Å; N277-T289 PolarHBondContact O-N 3.47Å; N277-T289 PolarHBondContact O-OG1 3.1Å; Y279-T289 HydrophobicContact CE2-CG2 4.48Å; Y279-T289 WeakPolarHBondContact CE2-OG1 3.46Å
290R67.8Low61.1Low207 Ų207126.1 Ų126.178%0.78169%0.688SS**PPolyproline II helixtrans-103.4122.8168-62.7-174.3-177.9-139.62108.4
291R54.1Low58.8Low199 Ų199125.6 Ų125.675%0.75169%0.694SS**PPolyproline II helixtrans-88.9123165.5-70.5-174.5-177.4171.40.7108.3
292A51.3Low56.4Low95 Ų95129.1 Ų129.179%0.78572%0.716SS**PPolyproline II helixtrans-85.2120.4165.900000107.9V294A292-V294 PolarHBondContact O-N 3.41Å
293C43.5Very low54.6Low130 Ų130124.9 Ų124.988%0.87871%0.707SS**  trans-69.2113.7168.7-590000108
294V45Very low52.5Low130 Ų130123.8 Ų123.879%0.78872%0.72SS**  trans-75.7120.2165.9173.30000107A292A292-V294 PolarHBondContact O-N 3.41Å
295A38.4Very low50.4Low77 Ų77129.4 Ų129.464%0.63674%0.736SS**  trans-83.3111.6176.700000109.5N297A295-N297 PolarHBondContact O-N 3.32Å; A295-N297 VanDerWaalsContact O-N 3.12Å
296D37.7Very low49Very low155 Ų155135.1 Ų135.183%0.82976%0.761SS**  trans-66.7105.9172.1-80.8-30.9000110.5
297N32.6Very low46.8Very low145 Ų145133.5 Ų133.578%0.77577%0.765SS**  trans-126.270165.3-72.2-77.1000108.9A295A295-N297 PolarHBondContact O-N 3.32Å; A295-N297 VanDerWaalsContact O-N 3.12Å
298L43.1Very low45Very low169 Ų169141.1 Ų141.189%0.88578%0.784SS**  trans-119104.1164.3-78.1172.9000110.5V300L298-V300 PolarHBondContact O-N 3.42Å
299K32.1Very low43.2Very low210 Ų210142 Ų14291%0.91379%0.794SS**  trans-62.3109.7175.1-176.1166.8179.2173.10110.3
300V39.4Very low42Very low126 Ų126144.2 Ų144.276%0.76480%0.803SS**  trans-130.2128165.8179.60000108.3L298L298-V300 PolarHBondContact O-N 3.42Å
301P36.1Very low41.1Very low121 Ų121142.9 Ų142.979%0.78680%0.803SS**  trans-82.3127.7-175.632.7-30.4000110.3
302S32.8Very low40.4Very low121 Ų121143.1 Ų143.185%0.84681%0.81SS**  trans-90.6128.2170.132.50000110.6
303P40.8Very low40.5Very low127 Ų127147.1 Ų147.183%0.82582%0.817SS**  trans-109.5141.5166.233.4-21.9000112.2
304G38.7Very low39.9Very low82 Ų82148.3 Ų148.385%0.84582%0.815SS**  trans110.481.2138.900000117.7
305L37.8Very low39.8Very low174 Ų174148 Ų14891%0.91181%0.813SS**  trans-71.1118.7168.3-172.9147.4000111.4
306L46.8Very low40Very low177 Ų177152.2 Ų152.293%0.92782%0.824SS**  trans-156.5126.9162.4-92.8166.3000105.8
307G38.7Very low40Very low68 Ų68149.5 Ų149.570%0.70182%0.823SS**  cis144.4103.720.100000105.5
308R41Very low40.4Very low247 Ų247146.3 Ų146.393%0.93282%0.824SS**  trans-54.8141.1-174.3-61.2168.2178.6-132.5-2.2113.3
309H41.2Very low40.2Very low159 Ų159145 Ų14574%0.73682%0.824SS**  trans-171.4128136.5-131.4-140.2000115.4
310L43Very low40.4Very low109 Ų109145.4 Ų145.457%0.57182%0.819SS**  trans71146.9146.2-49.6-176.9000120.6
311K49.7Very low40.5Very low179 Ų179146.7 Ų146.778%0.77882%0.817SS**  cis-166.4139.4-12.8-119157.3-175.6173.80106
312K38.7Very low40.4Very low205 Ų205148.9 Ų148.989%0.89182%0.817SS**  trans-54.3137.9164.9-83.9173.2161.9-179.60112.1
313L53.5Low40.7Very low179 Ų179149.6 Ų149.694%0.93781%0.811SS**  trans-143.4123.6141.9-84.9177.1000108.4
314D31.3Very low40.6Very low155 Ų155149.4 Ų149.483%0.82981%0.808SS**  trans-129.9148.5169.2-130.5-17.7000105.4
315T43.5Very low40.6Very low123 Ų123151.5 Ų151.576%0.75581%0.806SS**  trans131.5133.7159-520000113.7
316L42.4Very low40.5Very low166 Ų166149.9 Ų149.987%0.86980%0.798SS**  trans97.3125.5174.3-54.6176.9000113.6
317A37Very low39.8Very low98 Ų98147.7 Ų147.781%0.8179%0.787SS**  cis-174.7155.7-3.600000106.6
318G40.1Very low39.5Very low78 Ų78150.1 Ų150.180%0.80479%0.788SS**  trans13181.4155.800000116.8
319T39.8Very low39.5Very low142 Ų142146.6 Ų146.687%0.87179%0.787SS**  trans-40.1143.8162.246.80000115.9
320R36.5Very low39.3Very low217 Ų217148.8 Ų148.882%0.81980%0.795SS**  168.3114.4115.2-171.2168.2-174-175.3-2115.2
321E41.8Very low39.2Very low154 Ų154153.5 Ų153.572%0.7281%0.811SS**  trans53.2108.7137.1-57.4172.8156.700123.2
322E34.1Very low38.7Very low166 Ų166148.4 Ų148.478%0.77681%0.809SS**  27.2128.2121-149.6-176.5161.900120.9
323N38.9Very low39Very low137 Ų137143.8 Ų143.873%0.73380%0.8SS**  160.4133.8116.5-82-63.8000113.6
324V38Very low38.4Very low123 Ų123144.9 Ų144.975%0.74580%0.797SS**  trans-70.9162.1172.3-173.20000110
325P39.3Very low39Very low125 Ų125141.8 Ų141.881%0.81279%0.788SS**  -153.8160.6103.633.3-11.8000117.9
326L35Very low38.9Very low141 Ų141142 Ų14274%0.73879%0.79SS**  trans-74.2158.2174.2-72.6147000114.6
327N32.2Very low38.7Very low131 Ų131143.6 Ų143.670%0.70179%0.792SS**  trans74.7124.9138.3-76.9-10.4000123.1
328T33.5Very low38.9Very low119 Ų119148.5 Ų148.573%0.7380%0.796SS**  trans66.1115.113462.70000120.1
329L40.1Very low39.1Very low173 Ų173149.3 Ų149.391%0.90679%0.794SS**  -164.8125.1123.4-136.286.2000112.6
330F36.2Very low39Very low205 Ų205152.7 Ų152.790%0.89980%0.797SS**  trans-71.6156.9161.2-100.6-101.2000110.9
331K41.1Very low39.4Very low207 Ų207153.5 Ų153.590%0.980%0.8SS**  132.6103.9129.7-156171.4-167.3178.60116
332G39.6Very low39.4Very low72 Ų72152.7 Ų152.774%0.74281%0.806SS**  106.1149.6129.700000119.6
333P45.2Very low40.1Very low108 Ų108150.2 Ų150.270%0.70180%0.804SS**  trans-121.9-160.1-148.238-18.5000114.9
334F41.6Very low40.1Very low202 Ų202150.2 Ų150.289%0.88681%0.809SS**  trans105.6139.4176.4-57.4-65.8000113.9
335S42.8Very low40.2Very low90 Ų90151.2 Ų151.263%0.62981%0.81SS**  cis-164.9159.6-20.166.10000107.3
336T41.3Very low40.1Very low129 Ų129151.4 Ų151.479%0.79181%0.808SS**  trans60.2111.6151.151.60000120.3
337E39.1Very low40Very low198 Ų198149.3 Ų149.393%0.92580%0.802SS**  172.8148.7105.1-165.2168.9142.800111.2
338K40.8Very low40.6Very low202 Ų202152.7 Ų152.788%0.87881%0.81SS**  trans-81.7136.8-166.7-59.8-172177-177.70113.2
339A43.9Very low40.8Very low94 Ų94151.1 Ų151.178%0.77781%0.81SS**  trans-156116.2148.600000111.5R341A339-R341 PolarHBondContact O-N 3.05Å
340K37.6Very low40.7Very low213 Ų213149.3 Ų149.393%0.92681%0.808SS**  trans-64123.8164.6-88.5179.3170.5-176.30109.4
341R45.9Very low40.6Very low234 Ų234145.3 Ų145.388%0.88380%0.804SS**  trans-145.2123.2152.1-82.2-165.3174.8110.8-1.6110.9A339A339-R341 PolarHBondContact O-N 3.05Å
342T40.4Very low40.5Very low138 Ų138141.1 Ų141.185%0.84780%0.798SS**  trans-63.2147.9171.9-28.70000111.8
343P48.8Very low40.9Very low113 Ų113144.3 Ų144.373%0.73480%0.803SS**  trans-100.8126.8158.631.8-23.5000112.6
344T40Very low40.5Very low137 Ų137145.5 Ų145.584%0.8481%0.808SS**  trans-12.9117.1155.1250000120.6
345L39.5Very low40.9Very low144 Ų144140.7 Ų140.775%0.75481%0.806SS**  12.6122.1127.4-162.8114.5000120.1
346V37.6Very low40.6Very low129 Ų129144.5 Ų144.578%0.78281%0.813SS**  trans-136122.3137-1760000107.5F348V346-F348 HydrophobicContact CG1-CD2 4.28Å; V346-F348 HydrophobicContact CG1-CE2 4.32Å
347T33.2Very low40.8Very low98 Ų98147.2 Ų147.260%0.60182%0.817SS**  trans-132.6128.3179.5-63.80000108.1
348F43.7Very low40.9Very low201 Ų201142.9 Ų142.988%0.88281%0.808SS**  trans-144.6100.8161.6-73.9-73.5000110.8V346V346-F348 HydrophobicContact CG1-CD2 4.28Å; V346-F348 HydrophobicContact CG1-CE2 4.32Å
349A37.6Very low40.7Very low87 Ų87137.6 Ų137.672%0.71980%0.802SS**  trans-165.8134.1146.100000107.5
350P38.7Very low40.7Very low134 Ų134139.6 Ų139.687%0.8780%0.804SS**  -146.7157.6120.526.9-5.7000115.5
351C34.2Very low40.9Very low122 Ų122139 Ų13982%0.82480%0.802SS**  trans-72.1-157.8-179.5-53.20000114.9
352P39.9Very low40.6Very low119 Ų119133.9 Ų133.977%0.77380%0.799SS**  -121.5168.8-87.236.5-18.5000113.9
353V47Very low40.6Very low139 Ų139133.5 Ų133.584%0.84280%0.802SS**  trans-143.8112.7173.4-1800000113.2
354V36.7Very low40.3Very low133 Ų133131 Ų13181%0.80680%0.796SS**  trans37.2126134-1720000121.8
355A49.7Very low40.5Very low101 Ų101131 Ų13184%0.83580%0.797SS**  trans-162118.2133.100000111.2
356E36.5Very low40.4Very low169 Ų169134.3 Ų134.379%0.7980%0.799SS**  trans-84.9153.1168.9-63.6-164.4146.300111
357H45.9Very low40.8Very low187 Ų187135.8 Ų135.887%0.86680%0.802SS**  trans-174.5116.5135.7-82.9-54.4000112.3
358S40.8Very low41Very low107 Ų107139.4 Ų139.475%0.74881%0.809SS**  trans46.4113.614566.40000124.4
359A37.9Very low40.7Very low91 Ų91137.9 Ų137.975%0.75280%0.804SS**  63.8120.111900000122.6
360V42.5Very low40.7Very low135 Ų135139.5 Ų139.582%0.81881%0.806SS**  161.3115.9106.3168.10000112
361K41.8Very low40.4Very low200 Ų200136.9 Ų136.987%0.8780%0.795SS**  trans34.8144.5150.7-84.4177.6173.4176.10126
362P40.4Very low40.5Very low128 Ų128140.1 Ų140.183%0.83180%0.798SS**  trans-112.6172.9177.943.1-32.3000116
363S40.8Very low40.3Very low130 Ų130142.5 Ų142.591%0.90980%0.799SS**  trans-165.1141.3168.8172.20000108.9
364G42.4Very low39.8Very low59 Ų59143.8 Ų143.861%0.60880%0.796SS**  cis177.8152.32.300000111.8
365T44Very low39.8Very low138 Ų138143.4 Ų143.485%0.84780%0.799SS**  trans50.4119.4144.247.30000121.8
366R37.1Very low39.3Very low214 Ų214146.5 Ų146.581%0.80880%0.798SS**  78.5123.559.9-166.1-173.4-161.4-140.87.1114.9
367L45.8Very low39.6Very low160 Ų160144 Ų14484%0.83879%0.794SS**  -179.7156.3122.7-90.4165.1000113.7
368K37.1Very low39.2Very low173 Ų173142.1 Ų142.175%0.75279%0.79SS**  trans-120.2175.9-166.1-73.4-176.8166.1-169.30111.7
369H37.9Very low39Very low170 Ų170141 Ų14179%0.78778%0.783SS**  trans110.4148.7155.3-78.2-89.9000115.2
370T37.6Very low39.2Very low121 Ų121148 Ų14874%0.74279%0.789SS**  cis-178162.4-14.4-930000106.8
371A32.4Very low39Very low78 Ų78149 Ų14965%0.64579%0.79SS**  trans-78.7174.7-169.300000117.6
372E36.7Very low38.9Very low190 Ų190145.8 Ų145.889%0.88879%0.792SS**  trans92.7127.3149.5-72.4169.9-165.800122.2
373Q35Very low38.6Very low170 Ų170150.6 Ų150.679%0.79479%0.794SS**  trans122.498.1131.3-155.1161.438.900120.6
374E35.7Very low38.4Very low166 Ų166153.7 Ų153.778%0.77679%0.794SS**  41145.4123.6-52-179.9158.900126.4
375S38.1Very low37.7Very low124 Ų124155.6 Ų155.687%0.86780%0.798SS**  trans87.5149.6150.785.60000118.5
376M38.6Very low37.3Very low167 Ų167157.9 Ų157.982%0.82380%0.801SS**  cis-177.4163.6-19.7-169.6-170.1176.300106.4
377V43.7Very low37Very low115 Ų115155.3 Ų155.370%0.69780%0.798SS**  trans71.4142.8161.2-118.10000117.4
378D37.3Very low36.5Very low148 Ų148155.5 Ų155.579%0.79179%0.793SS**  cis-165.6167.825.4-150.9-8.1000113.4
379S35.5Very low36.5Very low85 Ų85155.9 Ų155.959%0.59480%0.797SS**  trans-95.4168.5-163.6-168.70000115.7
380R42.3Very low36.2Very low236 Ų236151.1 Ų151.189%0.89179%0.793SS**  trans169.4100.6149.7-91.6156.6-155.6-131.78110.3
381L39.2Very low36.2Very low158 Ų158153.6 Ų153.683%0.82780%0.802SS**  54.6110.484.4-84171.5000117.2
382S38.1Very low36.3Very low131 Ų131156 Ų15692%0.91681%0.814SS**  trans-169.3142.2133.539.80000111.4
383R34.3Very low36.4Very low230 Ų230151.6 Ų151.687%0.86881%0.81SS**  trans-126.9137.4-154.9167.4-170.8175.4178-0.1107.5
384E36.7Very low36.6Very low194 Ų194149.6 Ų149.691%0.90781%0.812SS**  trans-157.6131.4155.5-153.6157.3-169.900111.6
385S28.2Very low36.8Very low99 Ų99146.7 Ų146.769%0.69281%0.81SS**  trans-113.2145.1-179.3-57.70000108.6
386M35.6Very low37.2Very low187 Ų187147.9 Ų147.992%0.92181%0.806SS**  trans-154.2111.4158.4-155.686.116800109.8
387E30.7Very low37.4Very low159 Ų159148.5 Ų148.574%0.74381%0.807SS**  trans-73.2158.2166.3-68.2167.2140.800110.5
388F34.9Very low37.6Very low165 Ų165151.7 Ų151.772%0.72482%0.815SS**  159.1144.6124.1-87.1-70000113.6
389H38.2Very low38.1Very low181 Ų181154 Ų15484%0.83882%0.82SS**  trans78.8115.1165.4-54.1-68.2000116.3
390G30.7Very low39Very low69 Ų69156.7 Ų156.771%0.71183%0.828SS**  cis100.991.619.500000110.5
391D39.1Very low39.4Very low174 Ų174156.5 Ų156.593%0.9383%0.827SS**  trans-159129.7154-102.9-20.8000111.4
392S33.1Very low39.5Very low128 Ų128155.4 Ų155.490%0.89582%0.819SS**  trans-93.1137.5-173.3-530000111.6
393A38.9Very low40.2Very low97 Ų97151.3 Ų151.380%0.80280%0.798SS**  trans-145.2134.9157.900000110.1
394P39.2Very low41.1Very low129 Ų129146.4 Ų146.484%0.83880%0.796SS**  trans-91.7134.1-174.135.5-29.7000110.7
395S40.1Very low41.9Very low105 Ų105148.2 Ų148.273%0.73479%0.794SS**  trans-163.4120.4163.4-146.90000112.4
396D47.4Very low42.7Very low148 Ų148149.1 Ų149.179%0.79179%0.792SS**  trans59.870.8150.8-53.3-28.6000118.5
397E41.3Very low43.3Very low181 Ų181145.7 Ų145.785%0.84679%0.786SS**  trans-70.2144.3143.157-164.5153.700109.7
398E48.8Very low44.5Very low182 Ų182145.1 Ų145.185%0.8579%0.787SS**  trans103.235.5174-50.1-169.9159.500119.6L400E398-L400 PolarHBondContact O-N 3.31Å
399E48.9Very low45.6Very low195 Ų195146 Ų14691%0.91179%0.793SS**  trans-91.381.2161.7-141.4171.1-165.300111W401E399-W401 PolarHBondContact O-N 3.34Å
400L52.7Low46.8Very low142 Ų142143.1 Ų143.174%0.74378%0.783SS**  trans-58.5115.1173.3-70.9168.7000110.1E398 M402E398-L400 PolarHBondContact O-N 3.31Å; L400-M402 VanDerWaalsContact C-N 3.28Å; L400-M402 PolarHBondContact O-N 3.31Å
401W52Low48.3Very low233 Ų233143 Ų14388%0.88377%0.77SS**  trans-57.878.5176.351.2-79.5000112.5E399 G403E399-W401 PolarHBondContact O-N 3.34Å; W401-G403 PolarHBondContact O-N 3.47Å
402M41Very low49Very low134 Ų134142.7 Ų142.766%0.6677%0.765SS**  trans-78.8103.4166.2-71.1-71.4-69.600108.2L400 N406L400-M402 VanDerWaalsContact C-N 3.28Å; L400-M402 PolarHBondContact O-N 3.31Å; M402-N406 HydrophobicContact CE-CB 4.47Å
403G52.2Low50.6Low45 Ų45142.7 Ų142.746%0.46476%0.759SS.*  trans-55.7-178.4177.800000114.9W401 W405W401-G403 PolarHBondContact O-N 3.47Å; G403-W405 PolarHBondContact O-N 3.29Å
404P53.4Low51.4Low127 Ų127146.3 Ų146.383%0.82576%0.757SS**THydrogen-bonded Turntrans-62.910.9-159.7-2232.6000118.4
405W53.1Low52.1Low232 Ų232150.2 Ų150.288%0.87977%0.77SS**THydrogen-bonded Turntrans-104.9-5.2-168.1-65.867.7000113.3G403 S407G403-W405 PolarHBondContact O-N 3.29Å; W405-S407 VanDerWaalsContact C-N 3.32Å; W405-S407 PolarHBondContact O-N 2.94Å
406N46.2Very low52.7Low119 Ų119152.5 Ų152.564%0.63677%0.771SS**THydrogen-bonded Turntrans-87.717.5-175.9-155.619.4000115.1M402M402-N406 HydrophobicContact CE-CB 4.47Å
407S47Very low53Low115 Ų115152.7 Ų152.780%0.80477%0.77SS**THydrogen-bonded Turntrans-119.813.1-178.5-70.30000115.2W405W405-S407 VanDerWaalsContact C-N 3.32Å; W405-S407 PolarHBondContact O-N 2.94Å
408L56.6Low53.6Low146 Ų146151.2 Ų151.276%0.76477%0.766SS**  trans-117.969.4176.4-90128000111.6I410L408-I410 PolarHBondContact O-N 3.24Å
409H58.7Low53.9Low185 Ų185149.4 Ų149.486%0.85676%0.761SS**  trans-7796.6166.4-139.6-92.9000108.6P411H409-P411 WeakPolarHBondContact O-CD 3.5Å
410I63.3Low54.2Low120 Ų120146.5 Ų146.562%0.61575%0.752SS**  trans-79118.2167.5-59.1173.2000106.6L408 K414L408-I410 PolarHBondContact O-N 3.24Å; I410-K414 HydrophobicContact CG2-CB 4.44Å
411P62.1Low54.3Low67 Ų67146.8 Ų146.844%0.43575%0.752SS.*  trans-68.6137.9178.827.5-31.6000110.2H409 T413 K414H409-P411 WeakPolarHBondContact O-CD 3.5Å; P411-T413 PolarHBondContact O-N 3.01Å; P411-K414 PolarHBondContact O-N 3.12Å
412M53.8Low54.5Low167 Ų167140.6 Ų140.682%0.82374%0.743SS**G310 helixtrans-50.7-17-179.8-154.492.17200114.3K414M412-K414 PolarHBondContact O-N 3.42Å
413T65.9Low55.5Low127 Ų127141.2 Ų141.278%0.77975%0.749SS**G310 helixtrans-77.6-2179.356.70000114.2P411P411-T413 PolarHBondContact O-N 3.01Å
414K56.7Low55.8Low173 Ų173149.2 Ų149.275%0.75277%0.773SS**G310 helixtrans-111.9-5.3177.1-88.2-171176176.10114.9I410 P411 M412I410-K414 HydrophobicContact CG2-CB 4.44Å; P411-K414 PolarHBondContact O-N 3.12Å; M412-K414 PolarHBondContact O-N 3.42Å
415L52.9Low56Low212 Ų212151.2 Ų151.2100%1.1177%0.769SS**  trans-77.90164.9-125.8115.5000108.4

Retrieved 415 of 415 residues in 136 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).